SCHEMBL420729

SCHEMBL420729

CNC1(CO)CCOCC1

nearest known ligand 0.37

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.37
RAF1 P04049 1/20 0.35
BRAF P15056 1/20 0.35
EPHX1 P07099 1/20 0.32
OPRL1 P41146 1/20 0.30

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 SCHEMBL19031032 0.86 EPHX1 (0.34) DPP4RAF1BRAFEPHX1
SCHEMBL25091475 0.86
SCHEMBL420695 0.82
Hydrochloric Acid SCHEMBL17443677 0.82
Hydrochloric Acid SCHEMBL29010342 0.79
SCHEMBL12328056 0.78
SCHEMBL24736835 0.77 DPP4 (0.42) DPP4RAF1BRAFEPHX1OPRL1
SCHEMBL422018 0.77
SCHEMBL420704 0.77
SCHEMBL16143417 0.76

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240300965-A1 COMPOUNDS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2024-09-12 US disclosed
US-11999746-B2 Compounds GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2024-06-04 US disclosed
EP-3831824-A1 PREPARATION AND APPLICATION OF CLASS OF N-CONTAINING HETEROCYCLIC COMPOUNDS HAVING IMMUNOREGULATORY FUNCTION Shanghai Ennovabio Pharmaceuticals Co., Ltd. (CN) 2021-06-09 EP disclosed
EP-3209664-B1 BICYCLIC HETEROARYL AMINE COMPOUNDS AS PI3K INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2020-06-03 EP disclosed
US-20200055863-A1 COMPOUNDS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2020-02-20 US disclosed
US-10428078-B2 Compounds GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2019-10-01 US disclosed
EP-3172211-B1 TRICYCLIC IMIDAZO-PYRIMIDINONE DERIVATIVES FOR THE TREATMENT OF DISEASES MEDIATED BY LP-PLA2 GLAXOSMITHKLINE IP DEV LTD (GB) 2019-07-03 EP disclosed
US-20190023715-A1 COMPOUNDS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2019-01-24 US disclosed
EP-2920181-B1 PYRAZOLOPYRIMIDINE COMPOUNDS UNIV HEALTH NETWORK (CA) 2019-01-09 EP disclosed
US-10125141-B2 Compounds GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2018-11-13 US disclosed
US-9394313-B2 Transfer hydrogenation of cyclopamine analogs INFINITY PHARMACEUTICALS, INC. (US) 2016-07-19 US disclosed
US-9376447-B2 Transfer hydrogenation of cyclopamine analogs INFINITY PHARMACEUTICALS, INC. (US) 2016-06-28 US disclosed
US-20150299203-A1 PYRAZOLOPYRIMIDINE COMPOUNDS UNIVERSITY HEALTH NETWORK (CA) 2015-10-22 US disclosed
US-20120065400-A1 Transfer Hydrogenation of Cyclopamine Analogs INFINITY PHARMACEUTICALS, INC. (US) 2012-03-15 US disclosed
US-20120065399-A1 Transfer Hydrogenation of Cyclopamine Analogs INFINITY PHARMACEUTICALS, INC. (US) 2012-03-15 US disclosed
US-7652024-B2 Acylated spiropiperidine derivatives as melanocortin-4 receptor modulators MERCK SHARP & DOHME CORP. (US) 2010-01-26 US disclosed
US-7652024-B2 Acylated spiropiperidine derivatives as melanocortin-4 receptor modulators MERCK SHARP & DOHME CORP. (US) 2010-01-26 US disclosed
US-20090325990-A1 ACYLATED SPIROPIPERIDINE DERIVATIVES AS MELANOCORTIN-4 RECEPTOR MODULATORS MERCK SHARP & DOHME CORP. 2009-12-31 US disclosed
US-20090325990-A1 ACYLATED SPIROPIPERIDINE DERIVATIVES AS MELANOCORTIN-4 RECEPTOR MODULATORS MERCK SHARP & DOHME CORP. 2009-12-31 US disclosed
WO-2007047496-A2 ACYLATED SPIROPIPERIDINE DERIVATIVES AS MELANOCORTIN-4 RECEPTOR MODULATORS MERCK & CO., INC. (US) 2007-04-26 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 (10 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-20200055863-A1 COMPOUNDS PLAAT2, PLA2G12A, PLA2G1B DPP4 357/4885RAF1 4153/4885BRAF 4823/4885
US-20150299203-A1 PYRAZOLOPYRIMIDINE COMPOUNDS CYP3A5, CYP3A7, DPYD DPP4 16/4885RAF1 455/4885BRAF 346/4885
US-20120065400-A1 Transfer Hydrogenation of Cyclopamine Analogs HVCN1, KCNQ4, KCNQ5 DPP4 1792/4885RAF1 2843/4885BRAF 3883/4885
US-20120065399-A1 Transfer Hydrogenation of Cyclopamine Analogs HVCN1, KCNQ4, KCNQ5 DPP4 1792/4885RAF1 2843/4885BRAF 3883/4885
US-20090325990-A1 ACYLATED SPIROPIPERIDINE DERIVATIVES AS MELANOCORTIN-4 RECEPTOR MODULATORS MC4R, MC5R, MC3R DPP4 394/4885RAF1 4420/4885BRAF 4451/4885
US-20190023715-A1 COMPOUNDS PLAAT2, PLA2G12A, PLA2G1B DPP4 357/4885RAF1 4153/4885BRAF 4823/4885
US-10125141-B2 Compounds PLAAT2, PLA2G12A, PLA2G1B DPP4 357/4885RAF1 4153/4885BRAF 4823/4885
US-10428078-B2 Compounds PLAAT2, PLA2G12A, PLA2G1B DPP4 357/4885RAF1 4153/4885BRAF 4823/4885
US-20240300965-A1 COMPOUNDS PLAAT2, PLA2G12A, PLA2G1B DPP4 357/4885RAF1 4153/4885BRAF 4823/4885
US-11999746-B2 Compounds PLAAT2, PLA2G12A, PLA2G1B DPP4 357/4885RAF1 4153/4885BRAF 4823/4885

“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.