SCHEMBL3857754

SCHEMBL3857754

COc1cc(NC(=O)C#Cc2ccc(C(F)(F)F)cc2Cl)ccc1OCCN1CC(C)CC(C)C1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.45
MCHR1 Q99705 7/20 0.41
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
GAA P10253 1/20 0.40
KMT2A Q03164 1/20 0.40
TRPV1 Q8NER1 1/20 0.38
QPCT Q16769 1/20 0.37
KCNT1 Q5JUK3 1/20 0.37
KCNT2 Q6UVM3 1/20 0.37

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 0.91 HTR2A (0.44) KDM4EMCHR1MEN1ALDH1A1KMT2A
SCHEMBL3857968 0.87 HTR2A (0.45) KDM4EMCHR1MEN1ALDH1A1KMT2A
SCHEMBL3862748 0.87 HTR2A (0.49) MCHR1MEN1KMT2AQPCT
SCHEMBL3863359 0.86 MCHR1 (0.43) KDM4EMCHR1MEN1ALDH1A1KMT2A
SCHEMBL3863706 0.86 HTR2A (0.43) MCHR1ALDH1A1GAATRPV1
SCHEMBL13683465 0.84 KMT2A (0.49) KDM4EMCHR1MEN1ALDH1A1LMNA
SCHEMBL3863730 0.83 LMNA (0.45) KDM4EMEN1ALDH1A1LMNAKMT2A
SCHEMBL3862545 0.82 MCHR1 (0.40) MCHR1KMT2ATRPV1
Formic Acid SCHEMBL3863365 0.82 KMT2A (0.47) KDM4EMCHR1MEN1ALDH1A1KMT2A
SCHEMBL13683437 0.81 MCHR1 (0.51) KDM4EMCHR1TRPV1

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 KDM4E 1277/4885MCHR1 1/4885MEN1 807/4885

“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.