SCHEMBL561433

SCHEMBL561433

O=C(O)CNCCCC1CNCCO1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 4/20 0.39
SLC6A1 P30531 2/20 0.34
GABRA5 P31644 2/20 0.34
GABRB2 P47870 2/20 0.34
SLC6A12 P48065 2/20 0.34
SLC6A11 P48066 2/20 0.34
SLC6A13 Q9NSD5 2/20 0.34
GABRA1 P14867 1/20 0.34
GABRR1 P24046 1/20 0.34
GABRA4 P48169 1/20 0.34
SLC6A2 P23975 10/20 0.34
SLC6A3 Q01959 7/20 0.34
SLC6A4 P31645 6/20 0.34
SSTR4 P31391 1/20 0.33
CHEK1 O14757 1/20 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
SCHEMBL28301623 0.83 CHEK1 (0.38) SLC6A1GABRA5GABRB2SLC6A12SLC6A11
SCHEMBL27731957 0.82 SLC6A2 (0.37) BRD4SLC6A1GABRA5GABRB2SLC6A12
SCHEMBL17131067 0.81 LMNA (0.40) BRD4SLC6A1GABRA5GABRB2SLC6A12
SCHEMBL8790255 0.80 BRD4 (0.35) BRD4SLC6A2SLC6A3SLC6A4
Hydrochloric Acid SCHEMBL18259607 0.80 LMNA (0.39) BRD4SLC6A2SLC6A3SLC6A4
Hydrochloric Acid SCHEMBL18259606 0.80 LMNA (0.39) BRD4SLC6A2SLC6A3SLC6A4
SCHEMBL29121096 0.80 LMNA (0.40) BRD4SLC6A2SLC6A3SLC6A4
SCHEMBL17688823 0.79 SLC6A2 (0.48) BRD4SLC6A2SLC6A3SLC6A4
SCHEMBL1856077 0.79 SLC6A2 (0.39) SLC6A1GABRA5GABRB2SLC6A12SLC6A11
SCHEMBL16771733 0.79 SLC6A2 (0.39) SLC6A1GABRA5GABRB2SLC6A12SLC6A11

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 BRD4 3792/4885SLC6A1 2539/4885GABRA5 3312/4885

“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.