SCHEMBL2969978

SCHEMBL2969978

CCNCCC(=O)OCC

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.54
MGAM O43451 1/20 0.54
SI P14410 1/20 0.54
MGAM2 Q2M2H8 1/20 0.54
CYP1A2 P05177 1/20 0.48
ALDH1A1 P00352 2/20 0.44
TRPA1 O75762 1/20 0.44
LTA4H P09960 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
KMT2A Q03164 2/20 0.42
MAPT P10636 1/20 0.42
HPGD P15428 1/20 0.42
TOP2A P11388 1/20 0.41
POLB P06746 1/20 0.41

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 SCHEMBL10757823 0.98 GAA (0.52) GAAMGAMSIMGAM2CYP1A2
SCHEMBL13151291 0.91 MGAM (0.40) GAAMGAMSIMGAM2CYP1A2
SCHEMBL4464939 0.91 GAA (0.59) GAAMGAMSIMGAM2CYP1A2
SCHEMBL13756031 0.88 GAA (0.56) GAAMGAMSIMGAM2CYP1A2
Hydrochloric Acid SCHEMBL11851530 0.88 GAA (0.56) GAAMGAMSIMGAM2CYP1A2
SCHEMBL8367259 0.87 CYP1A2 (0.55) GAAMGAMSIMGAM2CYP1A2
SCHEMBL837763 0.84 ALDH1A1 (0.57) GAAMGAMSIMGAM2CYP1A2
SCHEMBL20937509 0.84 LTA4H (0.52) GAAMGAMSIMGAM2CYP1A2
SCHEMBL12939654 0.84 GAA (0.52) GAAMGAMSIMGAM2CYP1A2
SCHEMBL19102485 0.84 GAA (0.52) GAAMGAMSIMGAM2CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0449989-A1 6,7 DIHYDROPYRROLO 3,4-c] PYRIDO 2,3-d] PYRIMIDINE DERIVATIVES Sloan-Kettering Institute For Cancer Research (US) 1991-10-09 EP claimed
WO-1990007496-A1 6,7 DIHYDROPYRROLO[3,4-c] PYRIDO[2,3-d] PYRIMIDINE DERIVATIVES SLOAN-KETTERING INSTITUTE FOR CANCER RESEARCH (US) 1990-07-12 WO claimed
US-12371432-B2 Haloallylamine compounds and application thereof TRANSTHERA SCIENCES (NANJING), INC. (CN) 2025-07-29 US disclosed
US-12227501-B2 3-amino-2-[2-(acylamino)pyridin-4-yl]-1,5,6,7-tetrahydro-4h-pyrrolo[3,2-c]pyridin-4-one as CSNK1 inhibitors BAYER AKTIENGESELLSCHAFT (DE) 2025-02-18 US disclosed
EP-3892621-B1 HALOALLYLAMINE COMPOUNDS AND APPLICATION THEREOF TRANSTHERA SCIENCES NANJING INC (CN) 2024-09-18 EP disclosed
US-12077510-B2 Carboxylic acid compounds Sumitomo Pharma Co., Ltd. (JP) 2024-09-03 US disclosed
US-11753371-B2 Disulfiram derivatives as ALDH1A1 and MAGL inhibitors BATTERJEE MEDICAL COLLEGE (SA) 2023-09-12 US disclosed
US-11753371-B2 Disulfiram derivatives as ALDH1A1 and MAGL inhibitors BATTERJEE MEDICAL COLLEGE (SA) 2023-09-12 US disclosed
EP-3921317-B1 3-AMINO-2-[2-(ACYLAMINO)PYRIDIN-4-YL]-1,5,6,7-TETRAHYDRO-4H-PYRROLO[3,2-C]PYRIDIN-4-ONE AS CSNK1 INHIBITORS BAYER AG (DE) 2023-08-02 EP disclosed
EP-3921317-B1 3-AMINO-2-[2-(ACYLAMINO)PYRIDIN-4-YL]-1,5,6,7-TETRAHYDRO-4H-PYRROLO[3,2-C]PYRIDIN-4-ONE AS CSNK1 INHIBITORS BAYER AG (DE) 2023-08-02 EP disclosed
US-20230174474-A1 DISULFIRAM DERIVATIVES AS ALDH1A1 AND MAGL INHIBITORS BATTERJEE MEDICAL COLLEGE (SA) 2023-06-08 US disclosed
EP-0031120-B1 A PROCESS FOR THE PRODUCTION OF 2-SUBSTITUTED 6-ALKOXYCARBONYL-8-ETHYL-5-OXO-5,8-DIHYDRO-PYRIDO(2,3-D)-PYRIMIDINES AND OF CORRESPONDING FREE ACIDS Unibios S.p.A. (IT) 1984-08-01 EP disclosed
EP-0018549-B1 TETRAHYDROISOQUINOLINE COMPOUNDS, PROCESS FOR PREPARING THEM AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Tanabe Seiyaku Co., Ltd. (JP) 1981-12-30 EP disclosed
US-4294832-A HYPOTENSIVE AGENTS, ANGIOTENSIN INHIBITORS TANABE SEIYAKU CO., LTD. (JP) 1981-10-13 US disclosed
EP-0031120-A1 A process for the production of 2-substituted 6-alkoxycarbonyl-8-ethyl-5-oxo-5,8-dihydro-pyrido(2,3-d)-pyrimidines and of corresponding free acids Unibios S.p.A. (IT) 1981-07-01 EP disclosed
EP-0018549-A2 Tetrahydroisoquinoline compounds, process for preparing them and pharmaceutical compositions containing them Tanabe Seiyaku Co., Ltd. (JP) 1980-11-12 EP disclosed
US-4129737-A Process for the preparation of an 8-alkyl-5-oxo-5,8-dihydro-pyrido(2,3-d)pyrimidine-6-carboxylic acid LABORATOIRE ROGER BELLON (FR) 1978-12-12 US disclosed
US-4125720-A Process for the preparation of 4-chloro-5-alkoxycarbonyl-2-methoxy-pyrimidines LABORATOIRE ROGER BELLON (FR) 1978-11-14 US disclosed
US-4034094-A 8-Alkyl-5-oxo-5,8-dihydro-pyrido(2,3-d)pyrimidine-6-carboxylic acids for treating urinary tract infections LABORATOIRE ROGER BELLOW (FR) 1977-07-05 US disclosed
US-3950338-A BACTERICIDES LABORATOIRE ROGER BELLON (FR) 1976-04-13 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 (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-12371432-B2 Haloallylamine compounds and application thereof ADRA1D, ADRA1A, VAPA GAA 2675/4885MGAM 3943/4885SI 4741/4885
US-12077510-B2 Carboxylic acid compounds C9, C3AR1, SUCNR1 GAA 225/4885MGAM 1508/4885SI 1255/4885
US-11753371-B2 Disulfiram derivatives as ALDH1A1 and MAGL inhibitors ALDH1A1, ADH1A, ALDH3A1 GAA 307/4885MGAM 281/4885SI 2681/4885
US-12227501-B2 3-amino-2-[2-(acylamino)pyridin-4-yl]-1,5,6,7-tetrahydro-4h-pyrrolo[3,2-c]pyridin-4-one as CSNK1 inhibitors CSNK1A1, CSNK1G1, CSNK1E GAA 1002/4885MGAM 4396/4885SI 2717/4885
US-20230174474-A1 DISULFIRAM DERIVATIVES AS ALDH1A1 AND MAGL INHIBITORS ALDH1A1, ADH1A, ALDH3A1 GAA 307/4885MGAM 281/4885SI 2681/4885

“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.