SCHEMBL561432

SCHEMBL561432

CCC(NCC(=O)O)C1CNCCO1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 13/20 0.38
SLC6A4 P31645 12/20 0.37
SLC6A3 Q01959 7/20 0.35
MLNR O43193 1/20 0.35
ADRB2 P07550 1/20 0.35
CHRM2 P08172 1/20 0.35
CHRM1 P11229 1/20 0.35
CHRM3 P20309 1/20 0.35
HTR2C P28335 1/20 0.35
OPRK1 P41145 1/20 0.35
KCNH2 Q12809 1/20 0.35
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
MAPK1 P28482 1/20 0.35
KMT2A Q03164 1/20 0.35
SSTR4 P31391 2/20 0.32

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
SCHEMBL17688821 0.79 SLC6A2 (0.37) SLC6A2SLC6A4SLC6A3MLNRADRB2
SCHEMBL27833856 0.79 SLC6A2 (0.35) SLC6A2SLC6A4SLC6A3MLNRADRB2
Lactic Acid SCHEMBL15468139 0.77 SLC6A2 (0.33) SLC6A2SLC6A4SLC6A3MLNRADRB2
Lactic Acid SCHEMBL27574483 0.76 SLC6A2 (0.35) SLC6A2SLC6A4SLC6A3MLNRADRB2
SCHEMBL1413738 0.75 SLC6A2 (0.34) SLC6A2SLC6A4SLC6A3MLNRADRB2
SCHEMBL1082772 0.75 SLC6A2 (0.33) SLC6A2SLC6A4SLC6A3MLNRADRB2
SCHEMBL7795341 0.75 SLC6A2 (0.34) SLC6A2SLC6A4SLC6A3MLNRADRB2
SCHEMBL10916636 0.75 SLC6A2 (0.35) SLC6A2SLC6A4SLC6A3MLNRADRB2
SCHEMBL9744873 0.75 SLC6A2 (0.35) SLC6A2SLC6A4SLC6A3MLNRADRB2
SCHEMBL28776410 0.74 GNAI3 (0.36) SLC6A2SLC6A4SLC6A3MLNRADRB2

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 9 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
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
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 SLC6A2 2256/4885SLC6A4 2429/4885SLC6A3 2031/4885

“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.