SCHEMBL13569151

SCHEMBL13569151

Fc1cccc(CCC2CCCCC2)c1

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.59
MAOB P27338 1/20 0.59
HTT P42858 1/20 0.55
TAAR1 Q96RJ0 3/20 0.50
SLC6A3 Q01959 2/20 0.50
DRD2 P14416 1/20 0.47
SLC6A4 P31645 1/20 0.47
ALDH1A1 P00352 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
OPRM1 P35372 1/20 0.43
OPRD1 P41143 1/20 0.43
OPRK1 P41145 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43

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
SCHEMBL6897427 0.90 SLC6A3 (0.53) MAOAMAOBHTTTAAR1SLC6A3
SCHEMBL17565146 0.88 SLC6A3 (0.54) MAOAMAOBHTTTAAR1SLC6A3
SCHEMBL9562200 0.83 MAOA (0.57) MAOAMAOBHTTTAAR1SLC6A3
SCHEMBL10091164 0.83 MAOA (0.57) MAOAMAOBHTTTAAR1SLC6A3
SCHEMBL8031355 0.83 MAOA (0.57) MAOAMAOBHTTTAAR1SLC6A3
SCHEMBL27904615 0.83 MAOA (0.57) MAOAMAOBHTTTAAR1SLC6A3
SCHEMBL16191197 0.82 ALDH1A1 (0.50) HTTTAAR1SLC6A3DRD2SLC6A4
SCHEMBL21430763 0.80 MAOB (0.61) MAOBTAAR1ALDH1A1OPRM1OPRK1
SCHEMBL10091172 0.80 MAOA (0.53) MAOAMAOBHTTTAAR1SLC6A3
SCHEMBL10345367 0.80 MAOA (0.53) MAOAMAOBHTTTAAR1SLC6A3

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 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-20150004484-A1 ORGANIC ELECTROLYTE AND ORGANIC ELECTROLYTE STORAGE BATTERY JX NIPPON OIL & ENERGY CORPORATION (JP) 2015-01-01 US disclosed
EP-2797153-A1 ORGANIC ELECTROLYTE, AND ORGANIC ELECTROLYTE STORAGE BATTERY JX Nippon Oil & Energy Corporation (JP) 2014-10-29 EP disclosed
CN-104011928-A Organic electrolyte, and organic electrolyte storage battery JX NIPPON OIL & ENERGY CORP 2014-08-27 CN 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
WO-2009153457-A2 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 (FR) 2009-12-23 WO 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 (3 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-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 MAOA 1109/4885MAOB 1351/4885HTT 1397/4885
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 MAOA 792/4885MAOB 1063/4885HTT 968/4885
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 MAOA 792/4885MAOB 1063/4885HTT 968/4885

“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.