SCHEMBL6808963

SCHEMBL6808963

COc1ccc(CNCC2(c3ccccn3)CCCCC2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 7/20 0.44
FPR2 P25090 2/20 0.44
FPR1 P21462 1/20 0.44
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
DRD2 P14416 1/20 0.42
DRD3 P35462 1/20 0.42
OPRD1 P41143 1/20 0.42
OPRK1 P41145 1/20 0.42
KCNH2 Q12809 1/20 0.42
CACNA1C Q13936 1/20 0.42
SCN5A Q14524 1/20 0.42
DPP7 Q9UHL4 2/20 0.41
TP53 P04637 1/20 0.40
ALDH1A1 P00352 2/20 0.40
MEN1 O00255 1/20 0.40
BCHE P06276 1/20 0.40
KMT2A Q03164 1/20 0.40
KDM4E B2RXH2 1/20 0.39
HTT P42858 1/20 0.39

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
SCHEMBL6249722 0.86 OPRM1 (0.56) OPRM1DRD3OPRD1OPRK1KCNH2
SCHEMBL6802473 0.84 OPRM1 (0.47) OPRM1DRD3OPRD1OPRK1KCNH2
SCHEMBL18886892 0.76 OPRM1 (0.80) OPRM1CYP3A4CYP2D6DRD2DRD3
SCHEMBL6275107 0.75 ALDH1A1 (0.44) OPRM1ALDH1A1KDM4E
SCHEMBL17182799 0.72 DPP7 (0.52) DPP7TP53ALDH1A1MEN1KMT2A
SCHEMBL6798038 0.72 OPRM1 (0.40) OPRM1CYP3A4ALDH1A1BCHEKDM4E
SCHEMBL20777845 0.71 KDM4E (0.47) OPRM1OPRD1OPRK1KCNH2SCN5A
SCHEMBL28190192 0.71 ALDH1A1 (0.49) OPRM1ALDH1A1MEN1BCHEKMT2A
SCHEMBL6808215 0.71 SLC6A9 (0.49) OPRM1TP53ALDH1A1SMN1; SMN2
SCHEMBL16523594 0.71 L3MBTL1 (0.58) TP53ALDH1A1MEN1KMT2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040063643-A1 Bombesin antagonists PFIZER INC. 2004-04-01 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-20040063643-A1 Bombesin antagonists BRS3, NPSR1, GNRHR OPRM1 124/4885FPR2 321/4885FPR1 168/4885

“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.