SCHEMBL6204631

SCHEMBL6204631

CN(C)c1cccc(C2(C#N)CCCCC2)c1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.43
KDM4E B2RXH2 2/20 0.39
OPRM1 P35372 2/20 0.38
ALDH1A1 P00352 2/20 0.37
HRH3 Q9Y5N1 1/20 0.37
TSHR P16473 1/20 0.37
SLC6A2 P23975 2/20 0.36
SLC6A4 P31645 2/20 0.36
SLC6A3 Q01959 2/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
MEN1 O00255 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HCRTR2 O43614 1/20 0.36
L3MBTL1 Q9Y468 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
SCHEMBL6202800 0.79 OPRM1 (0.41) KMT2AOPRM1ALDH1A1HRH3TSHR
SCHEMBL16691395 0.79 KMT2A (0.46) KMT2AOPRM1ALDH1A1NPC1RAB9A
SCHEMBL9350026 0.78 OPRM1 (0.44) KMT2AKDM4EOPRM1ALDH1A1TSHR
SCHEMBL15866986 0.77 KMT2A (0.47) KMT2AOPRM1ALDH1A1SLC6A4SLC6A3
SCHEMBL5745284 0.76
SCHEMBL1019371 0.76 SLC6A4 (0.53) KMT2AOPRM1ALDH1A1SLC6A2SLC6A4
SCHEMBL1020648 0.76 SLC6A4 (0.49) KMT2AALDH1A1SLC6A2SLC6A4SLC6A3
SCHEMBL5736003 0.76 KDM4E (0.45) KMT2AKDM4EOPRM1ALDH1A1TSHR
SCHEMBL3171333 0.76 WDR5 (0.47) KMT2AOPRM1ALDH1A1NPC1RAB9A
SCHEMBL6203572 0.76 KMT2A (0.42) KMT2AOPRM1ALDH1A1NPC1RAB9A

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 KMT2A 3959/4885KDM4E 3172/4885OPRM1 124/4885

“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.