SCHEMBL4148508

SCHEMBL4148508

NC1CCCc2cc(CNCC3CC3)ccc21

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 6/20 0.41
PRMT5 O14744 1/20 0.41
WDR77 Q9BQA1 1/20 0.41
BDKRB1 P46663 2/20 0.41
ESR1 P03372 1/20 0.39
ESR2 Q92731 1/20 0.39
OPRM1 P35372 1/20 0.39
OPRK1 P41145 1/20 0.39
HDAC6 Q9UBN7 1/20 0.38
NPY5R Q15761 1/20 0.38
CXCR4 P61073 1/20 0.37
MAP4K4 O95819 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
SCHEMBL4149231 0.83 HTR6 (0.43) OPRD1
SCHEMBL4145771 0.83 OPRD1 (0.45) OPRD1
SCHEMBL4145039 0.82 BDKRB1 (0.41) OPRD1BDKRB1ESR1ESR2
SCHEMBL1724558 0.81 BDKRB1 (0.43) OPRD1BDKRB1ESR1ESR2
SCHEMBL4148482 0.81 BDKRB1 (0.42) OPRD1BDKRB1ESR1ESR2OPRM1
SCHEMBL1726878 0.79 OPRD1 (0.45) OPRD1ESR1ESR2
SCHEMBL4517111 0.79 OPRD1 (0.45) OPRD1ESR1ESR2
SCHEMBL1726880 0.79 OPRD1 (0.45) OPRD1ESR1ESR2
SCHEMBL4140540 0.79 HTR6 (0.44) OPRD1BDKRB1CXCR4
SCHEMBL4146769 0.79 OPRD1 (0.42) OPRD1BDKRB1ESR1ESR2OPRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090048224-A1 COMPOUNDS AND METHODS OF USE AMGEN, INC. (US) 2009-02-19 US disclosed
US-7425631-B2 Compounds and methods of use AMGEN INC. (US) 2008-09-16 US disclosed
EP-1631542-A1 BICYCLIC COMPOUNDS HAVING BRADYKININ RECEPTORS AFFINITY AND PHARMACEUTICAL COMPOSITIONS THEREOF Amgen, Inc. (US) 2006-03-08 EP disclosed
US-20050124654-A1 Compounds and methods of use AMGEN INC. 2005-06-09 US disclosed
WO-2004092116-A1 BICYCLIC COMPOUNDS HAVING BRADYKININ RECEPTORS AFFINITY AND PHARMACEUTICAL COMPOSITIONS THEREOF AMGEN, INC. (US) 2004-10-28 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 (2 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-20050124654-A1 Compounds and methods of use LTC4S, PTGES, LTB4R2 OPRD1 390/4885PRMT5 2890/4885WDR77 4305/4885
US-20090048224-A1 COMPOUNDS AND METHODS OF USE LTC4S, PTGES, LTB4R2 OPRD1 390/4885PRMT5 2890/4885WDR77 4305/4885

“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.