SCHEMBL6202800

SCHEMBL6202800

CN(C)Cc1cccc(C2(C#N)CCCCC2)c1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 4/20 0.41
KMT2A Q03164 1/20 0.41
SLC6A2 P23975 5/20 0.40
SLC6A4 P31645 5/20 0.40
SLC6A3 Q01959 4/20 0.40
HRH3 Q9Y5N1 1/20 0.38
ALDH1A1 P00352 1/20 0.38
TSHR P16473 1/20 0.38
OPRL1 P41146 1/20 0.37
NOS1 P29475 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
SCHEMBL6802583 0.85 OPRM1 (0.43) OPRM1KMT2AALDH1A1OPRL1
SCHEMBL6204631 0.79 KMT2A (0.43) OPRM1KMT2ASLC6A2SLC6A4SLC6A3
SCHEMBL14121560 0.76 OPRM1 (0.46) OPRM1KMT2AOPRL1
SCHEMBL16691395 0.76 KMT2A (0.46) OPRM1KMT2AALDH1A1
SCHEMBL24044974 0.76 OPRM1 (0.46) OPRM1KMT2AOPRL1
Hydrochloric Acid SCHEMBL6801813 0.75 SLC6A3 (0.56) SLC6A2SLC6A4SLC6A3
Hydrochloric Acid SCHEMBL6801818 0.75 OPRM1 (0.46) OPRM1SLC6A2SLC6A4SLC6A3ALDH1A1
SCHEMBL15866986 0.74 KMT2A (0.47) OPRM1KMT2ASLC6A4SLC6A3ALDH1A1
SCHEMBL1019371 0.73 SLC6A4 (0.53) OPRM1KMT2ASLC6A2SLC6A4SLC6A3
SCHEMBL3171333 0.73 WDR5 (0.47) OPRM1KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1501800-A1 BOMBESIN ANTAGONISTS Warner-Lambert Company LLC (US) 2005-02-02 EP disclosed
US-20040063643-A1 Bombesin antagonists PFIZER INC. 2004-04-01 US disclosed
WO-2003092670-A1 BOMBESIN ANTAGONISTS WARNER-LAMBERT COMPANY LLC (US) 2003-11-13 WO 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-20040063643-A1 Bombesin antagonists BRS3, NPSR1, GNRHR OPRM1 124/4885KMT2A 3959/4885SLC6A2 256/4885

“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.