SCHEMBL1935334

SCHEMBL1935334

NCCC1CCCN(C(=O)O)C1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 2/20 0.44
ITGA2B P08514 2/20 0.44
CHRM2 P08172 1/20 0.39
CHRM1 P11229 1/20 0.39
CHRM3 P20309 1/20 0.39
CPB2 Q96IY4 2/20 0.36
AKR1C3 P42330 1/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
GAA P10253 1/20 0.34
TLR8 Q9NR97 2/20 0.34
TLR7 Q9NYK1 2/20 0.34
TLR9 Q9NR96 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
CPN1 P15169 1/20 0.34
PKM P14618 1/20 0.34
EPHX2 P34913 1/20 0.33
HSD11B1 P28845 1/20 0.33
KDM4E B2RXH2 1/20 0.33

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
SCHEMBL16528062 0.90 ITGB3 (0.48) ITGB3ITGA2BCHRM2CHRM1CHRM3
SCHEMBL20771839 0.89 CHRM2 (0.43) ITGB3ITGA2BCHRM2CHRM1CHRM3
SCHEMBL20771830 0.89 CHRM2 (0.43) ITGB3ITGA2BCHRM2CHRM1CHRM3
SCHEMBL19032638 0.89 CHRM2 (0.43) ITGB3ITGA2BCHRM2CHRM1CHRM3
Hydrochloric Acid SCHEMBL14157264 0.87 CHRM2 (0.43) ITGB3ITGA2BCHRM2CHRM1CHRM3
SCHEMBL22389683 0.86 CHRM2 (0.48) ITGB3ITGA2BCHRM2CHRM1CHRM3
SCHEMBL1009375 0.86 ITGB3 (0.41) ITGB3ITGA2BCHRM2CHRM1CHRM3
SCHEMBL1694214 0.85 ITGB3 (0.43) ITGB3ITGA2BCHRM2CHRM1CHRM3
SCHEMBL1694358 0.85 ITGB3 (0.43) ITGB3ITGA2BCHRM2CHRM1CHRM3
SCHEMBL856443 0.85 ITGB3 (0.43) ITGB3ITGA2BCHRM2CHRM1CHRM3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10934272-B2 Pyridyl derivatives as bromodomain inhibitors GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO. 2) LIMITED (GB) 2021-03-02 US disclosed
EP-3440069-B1 PYRIDYL DERIVATIVES AS BROMODOMAIN INHIBITORS GLAXOSMITHKLINE IP NO 2 LTD (GB) 2020-10-28 EP disclosed
US-20190119248-A1 PYRIDYL DERIVATIVES AS BROMODOMAIN INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO. 2) LIMITED (GB) 2019-04-25 US disclosed
US-8324396-B2 Derivatives of urea and related diamines, methods for their manufacture, and uses therefor AMGEN INC. (US) 2012-12-04 US disclosed
EP-2331518-A1 NEW BRADYKININ B1 ANTAGONISTS Evotec AG (DE) 2011-06-15 EP disclosed
WO-2011002772-A1 IMIDAZOPYRIDINE DERIVATIVES AND PBK INHIBITORS CONTAINING THE SAME ONCOTHERAPY SCIENCE, INC. (JP) 2011-01-06 WO disclosed
WO-2010020556-A1 NEW BRADYKININ B1 ANTAGONISTS EVOTEC NEUROSCIENCES GMBH (DE) 2010-02-25 WO disclosed
US-20090054463-A1 Derivatives of urea and related diamines, methods for their manufacture, and uses therefor AMGEN INC. 2009-02-26 US 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 (3 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-10934272-B2 Pyridyl derivatives as bromodomain inhibitors BRD4, BRD3, BRDT ITGB3 2400/4885ITGA2B 2986/4885CHRM2 1532/4885
US-20090054463-A1 Derivatives of urea and related diamines, methods for their manufacture, and uses therefor UTS2R, CASR, GPR17 ITGB3 4846/4885ITGA2B 4793/4885CHRM2 1780/4885
US-20190119248-A1 PYRIDYL DERIVATIVES AS BROMODOMAIN INHIBITORS BRD4, BRD3, BRDT ITGB3 2400/4885ITGA2B 2986/4885CHRM2 1532/4885

“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.