SCHEMBL734401

SCHEMBL734401

CN(C)C1(c2ccccc2)CC=C(c2[nH]c3ccccc3c2CCNC(=O)NC2CCCC2)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 3/20 0.50
OPRL1 P41146 3/20 0.50
LMNA P02545 2/20 0.45
POLB P06746 1/20 0.45
MTNR1A P48039 1/20 0.43
MTNR1B P49286 1/20 0.43
EPHX1 P07099 4/20 0.42
NPC1 O15118 1/20 0.42
TP53 P04637 1/20 0.42
TSHR P16473 1/20 0.42
EPHX2 P34913 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MCL1 Q07820 1/20 0.40
HPGD P15428 2/20 0.39
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
GFER P55789 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
SCHEMBL734261 0.86 MEN1 (0.42) OPRM1OPRL1MTNR1AMTNR1BPABPC1
SCHEMBL733625 0.86 MTNR1A (0.48) OPRM1OPRL1MTNR1AMTNR1BTSHR
SCHEMBL734910 0.82 MCL1 (0.39) OPRM1OPRL1LMNAMTNR1AMTNR1B
SCHEMBL735141 0.81 OPRM1 (0.55) OPRM1OPRL1LMNAPOLBMTNR1A
SCHEMBL734526 0.80 EGFR (0.47) OPRM1OPRL1KDM4EALDH1A1GAA
SCHEMBL734295 0.79 KDM4E (0.47) OPRM1OPRL1KDM4EALDH1A1GAA
SCHEMBL734734 0.79 ALDH1A1 (0.43) OPRM1OPRL1POLBTSHRKDM4E
SCHEMBL735840 0.79 KMT2A (0.46) LMNAPOLBNPC1TSHREPHX2
SCHEMBL735878 0.78 KDM4E (0.47) OPRM1OPRL1POLBTSHRKDM4E
SCHEMBL735512 0.78 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 OPRM1 1029/4885OPRL1 1562/4885LMNA 1488/4885

“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.