SCHEMBL3636237

SCHEMBL3636237

C[C@@H](COC(=O)N1CCC(Nc2ccccc2)CC1)N(Cc1ccccc1)Cc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RORC P51449 2/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
ALDH1A1 P00352 4/20 0.48
KDM4E B2RXH2 3/20 0.48
MAPT P10636 3/20 0.48
LMNA P02545 2/20 0.48
HTT P42858 2/20 0.48
USP2 O75604 1/20 0.48
HPGD P15428 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
NOS2 P35228 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.45
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
MAPK1 P28482 1/20 0.45
TSHR P16473 1/20 0.45
CACNA1B Q00975 1/20 0.44
CHRM2 P08172 1/20 0.43
CHRM5 P08912 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
SCHEMBL3636241 1.00 RORC (0.49) RORCMEN1KMT2AALDH1A1KDM4E
SCHEMBL3754359 0.93 RORC (0.48) RORCMEN1KMT2AALDH1A1KDM4E
SCHEMBL3643666 0.93 RORC (0.48) RORCMEN1KMT2AALDH1A1KDM4E
SCHEMBL3636523 0.92 ALDH1A1 (0.53) RORCMEN1KMT2AALDH1A1MAPT
SCHEMBL3636526 0.92 ALDH1A1 (0.53) RORCMEN1KMT2AALDH1A1MAPT
SCHEMBL3639371 0.91 KDM4E (0.48) MEN1KMT2AALDH1A1KDM4EMAPT
SCHEMBL3639375 0.91 KDM4E (0.48) MEN1KMT2AALDH1A1KDM4EMAPT
SCHEMBL3746221 0.89 ALDH1A1 (0.49) RORCMEN1KMT2AALDH1A1KDM4E
SCHEMBL3636681 0.89 ALDH1A1 (0.49) RORCMEN1KMT2AALDH1A1KDM4E
SCHEMBL3745244 0.88 BCHE (0.45) RORCMEN1KMT2AALDH1A1KDM4E

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-20100292214-A1 Compounds with Antiparasitic Activity, Applications thereof to the Treatment of Infectious Diseases Caused by Apicomplexans COMMISSARIAT A L'ENERGIE ATOMIQUE (FR) 2010-11-18 US claimed
US-20100292214-A1 Compounds with Antiparasitic Activity, Applications thereof to the Treatment of Infectious Diseases Caused by Apicomplexans COMMISSARIAT A L'ENERGIE ATOMIQUE (FR) 2010-11-18 US disclosed
US-20100292214-A1 Compounds with Antiparasitic Activity, Applications thereof to the Treatment of Infectious Diseases Caused by Apicomplexans COMMISSARIAT A L'ENERGIE ATOMIQUE (FR) 2010-11-18 US disclosed
US-20100292214-A1 Compounds with Antiparasitic Activity, Applications thereof to the Treatment of Infectious Diseases Caused by Apicomplexans COMMISSARIAT A L'ENERGIE ATOMIQUE (FR) 2010-11-18 US disclosed
EP-2155676-A2 COMPOUNDS WITH ANTIPARASITIC ACTIVITY, APPLICATIONS THEREOF TO THE TREATMENT OF INFECTIOUS DISEASES CAUSED BY APICOMPLEXANS Commissariat à l'Energie Atomique (FR) 2010-02-24 EP disclosed
WO-2008146172-A2 COMPOUNDS WITH ANTIPARASITIC ACTIVITY, APPLICATIONS THEREOF TO THE TREATMENT OF INFECTIOUS DISEASES CAUSED BY APICOMPLEXANS COMMISSARIAT A L'ENERGIE ATOMIQUE (FR) 2008-12-04 WO disclosed
EP-1997805-A1 Compounds with antiparasitic activity, applications thereof to the treatment of infectious diseases caused by apicomplexans Commissariat à l'Energie Atomique (FR) 2008-12-03 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 (1 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-20100292214-A1 Compounds with Antiparasitic Activity, Applications thereof to the Treatment of Infectious Diseases Caused by Apicomplexans ABCB11, TPP1, ABCB1 RORC 302/4885MEN1 2707/4885KMT2A 4004/4885

“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.