SCHEMBL3863706

SCHEMBL3863706

COc1cc(NC(=O)C#Cc2ccc(C(F)(F)F)cc2Cl)ccc1OCCN1C(C)CCCC1C

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.43
HTR2C P28335 2/20 0.43
HTR2B P41595 1/20 0.40
MCHR1 Q99705 7/20 0.39
ALOX5 P09917 3/20 0.38
EPHX2 P34913 3/20 0.38
ALDH1A1 P00352 1/20 0.38
GAA P10253 1/20 0.38
TRPV1 Q8NER1 1/20 0.38
FLT1 P17948 1/20 0.36
FLT4 P35916 1/20 0.36
KDR P35968 1/20 0.36
MAPT P10636 2/20 0.36
MAPK1 P28482 1/20 0.36

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
SCHEMBL3866529 0.88 HTR2A (0.44) HTR2AHTR2CHTR2BMCHR1ALDH1A1
SCHEMBL3857754 0.86 KDM4E (0.45) MCHR1ALDH1A1GAATRPV1
SCHEMBL3857968 0.85 HTR2A (0.45) HTR2AHTR2CMCHR1ALDH1A1FLT1
SCHEMBL3862545 0.85 MCHR1 (0.40) MCHR1ALOX5EPHX2TRPV1
SCHEMBL3863359 0.85 MCHR1 (0.43) HTR2AHTR2CMCHR1ALDH1A1MAPT
SCHEMBL3862748 0.84 HTR2A (0.49) HTR2AHTR2CMCHR1EPHX2KDR
SCHEMBL13683466 0.81 MCHR1 (0.44) MCHR1ALOX5EPHX2TRPV1MAPT
Hydrochloric Acid SCHEMBL3856450 0.81 MCHR1 (0.44) MCHR1ALOX5EPHX2TRPV1MAPT
SCHEMBL13683437 0.81 MCHR1 (0.51) MCHR1TRPV1KDR
SCHEMBL13683465 0.81 KMT2A (0.49) HTR2AMCHR1ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7592373-B2 Amide compounds with MCH antagonistic activity and medicaments comprising these compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-09-22 US disclosed
US-7592373-B2 Amide compounds with MCH antagonistic activity and medicaments comprising these compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-09-22 US disclosed
US-7592373-B2 Amide compounds with MCH antagonistic activity and medicaments comprising these compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-09-22 US disclosed
US-20050267093-A1 Amide compounds with MCH antagonistic activity and medicaments comprising these compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-12-01 US 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-20050267093-A1 Amide compounds with MCH antagonistic activity and medicaments comprising these compounds MCHR1, MC4R, MCHR2 HTR2A 565/4885HTR2C 1085/4885HTR2B 480/4885

“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.