SCHEMBL1710845

SCHEMBL1710845

NCCC1CCN(C(=O)O)CC1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 4/20 0.49
CHRM1 P11229 4/20 0.49
CHRM3 P20309 4/20 0.49
PRSS1 P07477 3/20 0.41
PRSS2 P07478 3/20 0.41
PRSS3 P35030 3/20 0.41
ST14 Q9Y5Y6 3/20 0.41
F10 P00742 2/20 0.41
F2 P00734 1/20 0.41
ITGB3 P05106 2/20 0.38
ITGA2B P08514 2/20 0.38
SIRT2 Q8IXJ6 1/20 0.36
SIRT1 Q96EB6 1/20 0.36
SIRT3 Q9NTG7 1/20 0.36
GNAI3 P08754 1/20 0.35
GNAO1 P09471 1/20 0.35
GNAI1 P63096 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35

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
Hydrochloric Acid SCHEMBL7443666 0.98 CHRM2 (0.48) CHRM2CHRM1CHRM3PRSS1PRSS2
Tert-Butanol SCHEMBL28545751 0.93 CHRM2 (0.48) CHRM2CHRM1CHRM3PRSS1PRSS2
SCHEMBL22389683 0.93 CHRM2 (0.48) CHRM2CHRM1CHRM3PRSS1PRSS2
SCHEMBL20771839 0.88 CHRM2 (0.43) CHRM2CHRM1CHRM3PRSS1PRSS2
SCHEMBL20771830 0.88 CHRM2 (0.43) CHRM2CHRM1CHRM3PRSS1PRSS2
SCHEMBL3405222 0.88 CHRM1 (0.44) CHRM2CHRM1CHRM3ITGB3ITGA2B
SCHEMBL19032638 0.88 CHRM2 (0.43) CHRM2CHRM1CHRM3PRSS1PRSS2
Hydrochloric Acid SCHEMBL14157264 0.86 CHRM2 (0.43) CHRM2CHRM1CHRM3PRSS1PRSS2
SCHEMBL3980000 0.86 SIGMAR1 (0.47) CHRM2CHRM1CHRM3ITGB3ITGA2B
SCHEMBL17626803 0.85 ITGB3 (0.39) CHRM2CHRM1CHRM3ITGB3ITGA2B

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 60 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024140850-A1 PROTEIN TYROSINE KINASE INHIBITOR AND MEDICAL USE THEREOF 苏州必扬医药科技有限公司 2024-07-04 WO disclosed
US-20240082223-A1 DIHYDROFUROPYRIDINE DERIVATIVES AS RHO- KINASE INHIBITORS CHIESI FARMACEUTICI S.P.A. (IT) 2024-03-14 US disclosed
EP-3790871-B1 FURIN INHIBITORS GLAXOSMITHKLINE IP DEV LTD (GB) 2024-01-24 EP disclosed
EP-4263547-A1 DIHYDROFUROPYRIDINE DERIVATIVES AS RHO- KINASE INHIBITORS Chiesi Farmaceutici S.p.A. (IT) 2023-10-25 EP disclosed
US-11773078-B2 Furin inhibitors GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2023-10-03 US disclosed
US-20230183239-A1 ECTONUCLEOTIDE PYROPHOSPHATASE-PHOSPHODIESTERASE 1 (ENPP-1) INHIBITORS AND USES THEREOF ABBVIE INC (US) 2023-06-15 US disclosed
US-20220315556-A1 FURIN INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2022-10-06 US disclosed
WO-2022128853-A1 DIHYDROFUROPYRIDINE DERIVATIVES AS RHO- KINASE INHIBITORS CHIESI FARMACEUTICI S.P.A. (IT) 2022-06-23 WO disclosed
EP-3790871-A1 FURIN INHIBITORS GlaxoSmithKline Intellectual Property Development Limited (GB) 2021-03-17 EP disclosed
US-10934272-B2 Pyridyl derivatives as bromodomain inhibitors GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO. 2) LIMITED (GB) 2021-03-02 US disclosed
EP-2124951-A1 5-CYAN0-4- (PYRROLO Ý2, 3B¨PYRIDINE-3-YL) -PYRIMIDINE DERIVATIVES USEFUL AS PROTEIN KINASE INHIBITORS Vertex Pharmaceuticals Incorporated (US) 2009-12-02 EP disclosed
CN-101528681-A New sulfonamide derivatives as bradykinin antagonists RITCHER GEDEON NYRT (HU) 2009-09-09 CN disclosed
WO-2009087305-A1 6-ARYL/HETEROALKYLOXY BENZOTHIAZOLE AND BENZIMIDAZOLE DERIVATIVES, METHOD FOR PREPARING SAME, APPLICATION THEREOF AS DRUGS, PHARMACEUTICAL COMPOSITIONS AND NOVEL USE IN PARTICULAR AS C-MET INHIBITORS SANOFI-AVENTIS (FR) 2009-07-16 WO disclosed
CN-101341125-A New phenanthridine derivatives as bradykinin antagonists RICHTER GEDEON NYRT (HU) 2009-01-07 CN disclosed
WO-2008079346-A1 5-CYAN0-4- (PYRROLO [2, 3B] PYRIDINE-3-YL) -PYRIMIDINE DERIVATIVES USEFUL AS PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-07-03 WO disclosed
EP-1934187-A1 NOVEL BENZIMIDAZOLE AND BENZOTHIAZOLE DERIVATIVES, METHOD FOR PREPARING SAME, USE THEREOF AS DRUGS, PHARMACEUTICAL COMPOSITIONS AND NOVEL USE IN PARTICULAR AS C-MET INHIBITORS Aventis Pharma S.A. (FR) 2008-06-25 EP disclosed
WO-2007036630-A1 NOVEL BENZIMIDAZOLE AND BENZOTHIAZOLE DERIVATIVES, METHOD FOR PREPARING SAME, USE THEREOF AS DRUGS, PHARMACEUTICAL COMPOSITIONS AND NOVEL USE IN PARTICULAR AS C-MET INHIBITORS AVENTIS PHARMA S.A. (FR) 2007-04-05 WO disclosed
WO-2007003964-A1 G-PROTEIN COUPLED RECEPTOR AGONISTS PROSIDION LIMITED (GB) 2007-01-11 WO disclosed
WO-1997020820-A1 HETEROARYL COMPOUNDS NOVARTIS AG (CH) 1997-06-12 WO disclosed
CN-1019393-B Substituted N-[(4-piperidingl] alkyl] bicyclic condensed oxazol and thiazolaminer JANSSEN PHARMACEUTICA NV (BE) 1992-12-09 CN 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 (5 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 CHRM2 1532/4885CHRM1 1948/4885CHRM3 982/4885
US-20220315556-A1 FURIN INHIBITORS FURIN, TGFB1, PCSK7 CHRM2 3813/4885CHRM1 3955/4885CHRM3 3969/4885
US-20240082223-A1 DIHYDROFUROPYRIDINE DERIVATIVES AS RHO- KINASE INHIBITORS ROCK1, ROCK2, RHOA CHRM2 694/4885CHRM1 796/4885CHRM3 560/4885
US-11773078-B2 Furin inhibitors FURIN, TGFB1, PCSK7 CHRM2 3813/4885CHRM1 3955/4885CHRM3 3969/4885
US-20230183239-A1 ECTONUCLEOTIDE PYROPHOSPHATASE-PHOSPHODIESTERASE 1 (ENPP-1) INHIBITORS AND USES THEREOF ENPP1, ENPP3, STING1 CHRM2 4552/4885CHRM1 4213/4885CHRM3 4132/4885

“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.