SCHEMBL734261

SCHEMBL734261

CN(C)C1(c2ccccc2)CC=C(c2[nH]c3ccccc3c2CCNC(=O)Nc2ccccc2)CC1

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
PABPC1 P11940 1/20 0.40
ALOX15 P16050 1/20 0.40
MTNR1A P48039 1/20 0.39
MTNR1B P49286 1/20 0.39
OPRM1 P35372 1/20 0.38
OPRL1 P41146 1/20 0.38

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
SCHEMBL733625 0.89 MTNR1A (0.48) MEN1KMT2AMTNR1AMTNR1BOPRM1
SCHEMBL734401 0.86 OPRM1 (0.50) PABPC1ALOX15MTNR1AMTNR1BOPRM1
SCHEMBL734526 0.82 EGFR (0.47) OPRM1OPRL1
SCHEMBL734295 0.82 KDM4E (0.47) OPRM1OPRL1
SCHEMBL734734 0.82 ALDH1A1 (0.43) OPRM1OPRL1
SCHEMBL736019 0.82 RAD52 (0.43) OPRM1OPRL1
SCHEMBL735840 0.82 KMT2A (0.46) MEN1KMT2A
SCHEMBL735878 0.81 KDM4E (0.47) OPRM1OPRL1
Hydrochloric Acid SCHEMBL734002 0.81 RAD52 (0.42) OPRM1OPRL1
SCHEMBL735512 0.81 OPRM1 (0.44) OPRM1OPRL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8138187-B2 Substituted heteroaryl derivatives GRUENENTHAL GMBH (DE) 2012-03-20 US disclosed
US-20100009986-A1 SUBSTITUTED HETEROARYL DERIVATIVES GRUNENTHAL GMBH (DE) 2010-01-14 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-20100009986-A1 SUBSTITUTED HETEROARYL DERIVATIVES CYP3A43, HMGCR, ABCG2 MEN1 2253/4885KMT2A 2453/4885PABPC1 4550/4885

“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.