SCHEMBL561818

SCHEMBL561818

NCC(=O)OCCCN1CCNCC1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HRH2 P25021 3/20 0.44
HRH1 P35367 3/20 0.44
ALDH1A1 P00352 3/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
MAPT P10636 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HRH3 Q9Y5N1 2/20 0.41
CXCR4 P61073 2/20 0.41
EPHX2 P34913 1/20 0.39
XDH P47989 1/20 0.38
KDM4E B2RXH2 2/20 0.38
LMNA P02545 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
TDP1 Q9NUW8 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
SCHEMBL8693568 0.90 MEN1 (0.42) HRH2HRH1ALDH1A1MEN1KMT2A
SCHEMBL8814790 0.83 CXCR4 (0.43) HRH2HRH1ALDH1A1MEN1KMT2A
SCHEMBL562204 0.81 HRH3 (0.47) HRH2HRH1ALDH1A1MEN1KMT2A
SCHEMBL561431 0.80 SMN1; SMN2 (0.52) ALDH1A1MEN1KMT2ASMN1; SMN2HRH3
SCHEMBL21750427 0.79 HRH2 (0.46) HRH2HRH1ALDH1A1MEN1KMT2A
SCHEMBL8561623 0.79 LMNA (0.46) HRH2HRH1ALDH1A1MEN1KMT2A
SCHEMBL22743444 0.78 HRH2 (0.42) HRH2HRH1ALDH1A1MEN1KMT2A
SCHEMBL22266346 0.78 CXCR4 (0.44) HRH2HRH1ALDH1A1MEN1KMT2A
SCHEMBL11779963 0.77 HRH2 (0.60) HRH2HRH1ALDH1A1
SCHEMBL11712690 0.77 HRH2 (0.60) HRH2HRH1ALDH1A1

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 HRH2 2702/4885HRH1 2259/4885ALDH1A1 2835/4885

“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.