SCHEMBL4145771

SCHEMBL4145771

NC1CCCc2cc(CNCC(=O)O)ccc21

nearest known ligand 0.45

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 9/20 0.45
ACHE P22303 2/20 0.38
KDM4E B2RXH2 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
SCHEMBL4149231 0.90 HTR6 (0.43) OPRD1ACHEKDM4E
SCHEMBL4148508 0.83 OPRD1 (0.41) OPRD1
SCHEMBL4145039 0.79 BDKRB1 (0.41) OPRD1
SCHEMBL1724558 0.78 BDKRB1 (0.43) OPRD1
SCHEMBL4148482 0.78 BDKRB1 (0.42) OPRD1
SCHEMBL4517111 0.76 OPRD1 (0.45) OPRD1ACHE
SCHEMBL1726878 0.76 OPRD1 (0.45) OPRD1ACHE
SCHEMBL1726880 0.76 OPRD1 (0.45) OPRD1ACHE
SCHEMBL4140540 0.76 HTR6 (0.44) OPRD1ACHEKDM4E
SCHEMBL4146769 0.76 OPRD1 (0.42) OPRD1

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 390/4885ACHE 32/4885KDM4E 2759/4885
US-20090048224-A1 COMPOUNDS AND METHODS OF USE LTC4S, PTGES, LTB4R2 OPRD1 390/4885ACHE 32/4885KDM4E 2759/4885

“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.