SCHEMBL561819

SCHEMBL561819

CCC(NCC(=O)O)N1CCNCC1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 11/20 0.39
SIGMAR1 Q99720 3/20 0.37
CHRM5 P08912 1/20 0.37
CHRM3 P20309 1/20 0.37
OPRM1 P35372 4/20 0.35
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34
GNAI3 P08754 1/20 0.33
GNAO1 P09471 1/20 0.33
GNAI1 P63096 1/20 0.33
OPRK1 P41145 1/20 0.33
CYP1A2 P05177 1/20 0.31
MME P08473 1/20 0.31
ACE P12821 1/20 0.31
CPA1 P15085 1/20 0.31
ACE2 Q9BYF1 1/20 0.31

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
SCHEMBL9092111 0.84 SLC6A3 (0.35) OPRD1SLC6A2SLC6A4MMEACE
SCHEMBL2597712 0.77 DPP4 (0.32) OPRD1
SCHEMBL9621736 0.71 OPRD1 (0.40) OPRD1SIGMAR1CHRM5CHRM3OPRM1
SCHEMBL928299 0.71 SLC6A2 (0.33) OPRD1SIGMAR1CHRM5CHRM3SLC6A2
SCHEMBL1494478 0.71 SIGMAR1 (0.43) OPRD1SIGMAR1CHRM5CHRM3OPRM1
SCHEMBL7590414 0.71 SIGMAR1 (0.43) OPRD1SIGMAR1CHRM5CHRM3OPRM1
Propionic Acid SCHEMBL28240809 0.71 SIGMAR1 (0.41) OPRD1SIGMAR1CHRM5CHRM3OPRM1
Hydrochloric Acid SCHEMBL28404227 0.69 SIGMAR1 (0.42) OPRD1SIGMAR1CHRM5CHRM3OPRM1
SCHEMBL29926322 0.69 SIGMAR1 (0.42) OPRD1SIGMAR1CHRM5CHRM3OPRM1
SCHEMBL3928119 0.69 SIGMAR1 (0.33) OPRD1SIGMAR1CHRM5CHRM3SLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3047274-A2 PSA ENZYMATIC ACTIVITY: A NEW BIOMARKER FOR ASSESSING PROSTATE CANCER AGGRESSIVENESS Ohmx Corporation (US) 2016-07-27 EP disclosed
WO-2015042493-A2 PSA ENZYMATIC ACTIVITY: A NEW BIOMARKER FOR ASSESSING PROSTATE CANCER AGGRESSIVENESS OHMX CORPORATION (US) 2015-03-26 WO disclosed
US-20140322740-A1 PSA PEPTIDASE ACTIVITY (PPA) AS A PROSTATE CANCER BIOMARKER NORTHWESTERN UNIVERSITY, AN ILLINOIS NOT FOR PROFIT CORPORATION (US) 2014-10-30 US disclosed
US-20140134658-A1 PSA ENZYMATIC ACTIVITY: A NEW BIOMARKER FOR ASSESSING PROSTATE CANCER AGGRESSIVENESS NOTRHWESTERN UNIVERSITY, AN ILLINOIS NOT FOR PROFIT CORPORATION (US) 2014-05-15 US disclosed
EP-2571997-A2 ENZYMATIC ACTIVITY OF PSA AS DIAGNOSTIC MARKER FOR PROSTATE CANCER Ohmx Corporation (US) 2013-03-27 EP disclosed
US-20120034638-A1 Electrochemical assay for the detection of enzymatically active PSA NORTHWESTERN UNIVERSITY, AN ILLINOIS NOT FOR PROFIT CORPORATION 2012-02-09 US disclosed
WO-2011146143-A2 DETECTION OF CANCER BY ASSAYING PSA ENZYMATIC ACTIVITY OHMX CORPORATION (US) 2011-11-24 WO disclosed
US-6844318-B2 Peptidase-cleavable, targeted antineoplastic drugs and their therapeutic use BRISTOL MYERS SQUIBB PHARMA COMPANY (US) 2005-01-18 US disclosed
EP-1263473-A2 PEPTIDASE-CLEAVABLE, TARGETED ANTINEOPLASTIC DRUGS AND THEIR THERAPEUTIC USE Bristol-Myers Squibb Pharma Company (US) 2002-12-11 EP disclosed
US-20020103133-A1 Peptidase-cleavable, targeted antineoplastic drugs and their therapeutic use BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-08-01 US disclosed
WO-2001068145-A2 PEPTIDASE-CLEAVABLE, TARGETED ANTINEOPLASTIC DRUGS AND THEIR THERAPEUTIC USE BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2001-09-20 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-20020103133-A1 Peptidase-cleavable, targeted antineoplastic drugs and their therapeutic use DNPEP, TMPRSS15, ENPEP OPRD1 4410/4885SIGMAR1 4271/4885CHRM5 4811/4885

“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.