SCHEMBL3359762

SCHEMBL3359762

COc1ccc(Br)cc1CNC12CC3CC(CC(C3)C1)C2

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 8/20 0.50
KMT2A Q03164 8/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
HTT P42858 2/20 0.49
KDM4E B2RXH2 3/20 0.48
ALDH1A1 P00352 3/20 0.48
GAA P10253 3/20 0.48
TDP1 Q9NUW8 2/20 0.48
MAPT P10636 2/20 0.48
USP2 O75604 1/20 0.48
THRB P10828 1/20 0.48
ALOX15 P16050 1/20 0.48
CASP1 P29466 1/20 0.48
RECQL P46063 1/20 0.48
BLM P54132 1/20 0.48
HSD17B10 Q99714 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
KDM1A O60341 1/20 0.47
MAOA P21397 1/20 0.47
MAOB P27338 1/20 0.47

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL20959894 1.00 MEN1 (0.50) MEN1KMT2ASMN1; SMN2HTTKDM4E
Hydrochloric Acid SCHEMBL3363220 0.99 MEN1 (0.52) MEN1KMT2ASMN1; SMN2HTTKDM4E
SCHEMBL20959900 0.96 MEN1 (0.47) MEN1KMT2ASMN1; SMN2HTTKDM4E
SCHEMBL18166480 0.84 HDAC6 (0.46) MEN1KMT2ASMN1; SMN2HTTKDM4E
SCHEMBL18170343 0.84 HDAC6 (0.46) MEN1KMT2ASMN1; SMN2HTTKDM4E
SCHEMBL18170344 0.84 HDAC6 (0.46) MEN1KMT2ASMN1; SMN2HTTKDM4E
SCHEMBL18184323 0.84 HDAC6 (0.46) MEN1KMT2ASMN1; SMN2HTTKDM4E
SCHEMBL25968480 0.82 KDM4E (0.52) MEN1KMT2ASMN1; SMN2HTTKDM4E
SCHEMBL16884338 0.81 SCN9A (0.46) MEN1KMT2ASMN1; SMN2HTTKDM4E
SCHEMBL3360559 0.80 TRPV6 (0.67) MEN1KMT2ASMN1; SMN2HTTALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3085688-B1 ADAMANTANE OR PINENE DERIVATIVES FOR USE IN THE TREATMENT OF CHLAMYDIALES INFECTIONS COMMISSARIAT ENERGIE ATOMIQUE (FR) 2020-08-19 EP claimed
EP-3239131-A1 NEW COMPOUNDS WITH ACTIVITY THAT PROTECTS AGAINST THE ACTION OF TOXINS AND VIRUSES IN INTRACELLULAR ACTION MODE Commissariat à l'Energie Atomique et aux Energies Alternatives (FR) 2017-11-01 EP claimed
US-20170233386-A1 Compounds Which Have a Protective Activity with Respect to the Action of Toxins and of Viruses with an Intracellular Mode of Action COMMISSARIAT A L'ENERGIE ATOMIQUE ET AUX ENERGIES ALTERNATIVES (FR) 2017-08-17 US claimed
US-20160310448-A1 Adamantane or Pinene Derivatives for Use in the Treatment of Chlamydiales Infections COMMISSARIAT A L'ENERGIE ATOMIQUE ET AUX ENERGIES ALTERNATIVES (FR) 2016-10-27 US claimed
US-20160083355-A1 COMPOUNDS WHICH HAVE A PROTECTIVE ACTIVITY WITH RESPECT TO THE ACTION OF TOXINS AND OF VIRUSES WITH AN INTRACELLULAR MODE OF ACTION COMMISSARIAT ENERGIE ATOMIQUE (FR) 2016-03-24 US claimed
US-20120283249-A1 Novel compounds which have a protective activity with respect to the action of toxins and of viruses with an intracellular mode of action COMMISSARIAT A L'ENERGIE ATOMIQUE ET AUX ENERGIES ALTERNATIVES (FR) 2012-11-08 US claimed
EP-2145873-A1 New compounds with activity that protects against the action of toxins and viruses in intracellular action mode COMMISSARIAT A L'ENERGIE ATOMIQUE (FR) 2010-01-20 EP claimed
EP-3085688-B1 ADAMANTANE OR PINENE DERIVATIVES FOR USE IN THE TREATMENT OF CHLAMYDIALES INFECTIONS COMMISSARIAT ENERGIE ATOMIQUE (FR) 2020-08-19 EP disclosed
EP-3085688-B1 ADAMANTANE OR PINENE DERIVATIVES FOR USE IN THE TREATMENT OF CHLAMYDIALES INFECTIONS COMMISSARIAT ENERGIE ATOMIQUE (FR) 2020-08-19 EP disclosed
EP-3476389-A1 ADAMANTANE OR BICYCLIC MONOTERPENOID DERIVATIVES FOR USE IN THE TREATMENT OF LEISHMANIASIS Commissariat à l'Energie Atomique et aux Energies Alternatives (FR) 2019-05-01 EP disclosed
US-10039727-B2 Adamantane or pinene derivatives for use in the treatment of chlamydiales infections COMMISSARIAT A L'ENERGIE ATOMIQUE ET AUX ENERGIES ALTERNATIVES (FR) 2018-08-07 US disclosed
US-10039727-B2 Adamantane or pinene derivatives for use in the treatment of chlamydiales infections COMMISSARIAT A L'ENERGIE ATOMIQUE ET AUX ENERGIES ALTERNATIVES (FR) 2018-08-07 US disclosed
US-10039727-B2 Adamantane or pinene derivatives for use in the treatment of chlamydiales infections COMMISSARIAT A L'ENERGIE ATOMIQUE ET AUX ENERGIES ALTERNATIVES (FR) 2018-08-07 US disclosed
US-20160083355-A1 COMPOUNDS WHICH HAVE A PROTECTIVE ACTIVITY WITH RESPECT TO THE ACTION OF TOXINS AND OF VIRUSES WITH AN INTRACELLULAR MODE OF ACTION COMMISSARIAT ENERGIE ATOMIQUE (FR) 2016-03-24 US disclosed
US-20160083355-A1 COMPOUNDS WHICH HAVE A PROTECTIVE ACTIVITY WITH RESPECT TO THE ACTION OF TOXINS AND OF VIRUSES WITH AN INTRACELLULAR MODE OF ACTION COMMISSARIAT ENERGIE ATOMIQUE (FR) 2016-03-24 US disclosed
US-20160083355-A1 COMPOUNDS WHICH HAVE A PROTECTIVE ACTIVITY WITH RESPECT TO THE ACTION OF TOXINS AND OF VIRUSES WITH AN INTRACELLULAR MODE OF ACTION COMMISSARIAT ENERGIE ATOMIQUE (FR) 2016-03-24 US disclosed
US-20120283249-A1 Novel compounds which have a protective activity with respect to the action of toxins and of viruses with an intracellular mode of action COMMISSARIAT A L'ENERGIE ATOMIQUE ET AUX ENERGIES ALTERNATIVES (FR) 2012-11-08 US disclosed
US-20120283249-A1 Novel compounds which have a protective activity with respect to the action of toxins and of viruses with an intracellular mode of action COMMISSARIAT A L'ENERGIE ATOMIQUE ET AUX ENERGIES ALTERNATIVES (FR) 2012-11-08 US disclosed
US-20120283249-A1 Novel compounds which have a protective activity with respect to the action of toxins and of viruses with an intracellular mode of action COMMISSARIAT A L'ENERGIE ATOMIQUE ET AUX ENERGIES ALTERNATIVES (FR) 2012-11-08 US disclosed
EP-2145873-A1 New compounds with activity that protects against the action of toxins and viruses in intracellular action mode COMMISSARIAT A L'ENERGIE ATOMIQUE (FR) 2010-01-20 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-10039727-B2 Adamantane or pinene derivatives for use in the treatment of chlamydiales infections ADRA1A, ADRA1B, ADRA1D MEN1 3852/4885KMT2A 4680/4885SMN1; SMN2 3400/4885
US-20120283249-A1 Novel compounds which have a protective activity with respect to the action of toxins and of viruses with an intracellular mode of action HAVCR2, MAVS, ANTXR2 MEN1 3020/4885KMT2A 4248/4885SMN1; SMN2 3101/4885
US-20160083355-A1 COMPOUNDS WHICH HAVE A PROTECTIVE ACTIVITY WITH RESPECT TO THE ACTION OF TOXINS AND OF VIRUSES WITH AN INTRACELLULAR MODE OF ACTION HAVCR2, MAVS, ANTXR2 MEN1 2389/4885KMT2A 4212/4885SMN1; SMN2 3088/4885
US-20170233386-A1 Compounds Which Have a Protective Activity with Respect to the Action of Toxins and of Viruses with an Intracellular Mode of Action HAVCR2, MAVS, ANTXR2 MEN1 2389/4885KMT2A 4212/4885SMN1; SMN2 3088/4885
US-20160310448-A1 Adamantane or Pinene Derivatives for Use in the Treatment of Chlamydiales Infections ADRA1A, ADRA1B, ADRA1D MEN1 3704/4885KMT2A 4734/4885SMN1; SMN2 3512/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.