SCHEMBL1507376

SCHEMBL1507376

CC(=O)CCc1ccc(C#N)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.57
FFAR1 O14842 7/20 0.50
CYP2A6 P11509 1/20 0.50
LOXL2 Q9Y4K0 2/20 0.47
MMP12 P39900 1/20 0.46
MMP13 P45452 1/20 0.46
FFAR4 Q5NUL3 2/20 0.46
SAE1 Q9UBE0 1/20 0.46
UBA2 Q9UBT2 1/20 0.46
HTT P42858 1/20 0.46
TSHR P16473 1/20 0.46
HSD17B10 Q99714 1/20 0.46
KCNJ1 P48048 1/20 0.46
KCNH2 Q12809 1/20 0.46
MAPT P10636 2/20 0.45
CTBP2 P56545 1/20 0.45
CYP11B1 P15538 1/20 0.44
CYP11B2 P19099 1/20 0.44
KDM4E B2RXH2 1/20 0.44
NPC1 O15118 1/20 0.44

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
SCHEMBL5830401 0.95 TSHR (0.54) ALDH1A1FFAR1CYP2A6LOXL2MMP12
SCHEMBL5830223 0.90 PARP15 (0.51) ALDH1A1FFAR1FFAR4MAPTKDM4E
SCHEMBL5831140 0.89 HSD17B10 (0.51) ALDH1A1FFAR1CYP2A6LOXL2MMP12
SCHEMBL6365360 0.87 MAPT (0.57) ALDH1A1FFAR1MMP13FFAR4MAPT
SCHEMBL21169244 0.86 TSHR (0.57) ALDH1A1FFAR1CYP2A6LOXL2MMP12
SCHEMBL7338789 0.84 FFAR1 (0.53) FFAR1CYP2A6LOXL2MMP12MMP13
SCHEMBL10912165 0.83 ALDH1A1 (0.77) ALDH1A1FFAR1FFAR4HSD17B10MAPT
SCHEMBL7340248 0.83 SLC6A2 (0.59) ALDH1A1FFAR1FFAR4KCNH2MAPT
SCHEMBL1337387 0.82 FFAR1 (0.69) FFAR1MMP12MMP13FFAR4HTT
SCHEMBL22598187 0.82 ALDH1A1 (0.50) ALDH1A1FFAR1FFAR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119120338-A Prostaglandin reductase and glucose dehydrogenase co-expression recombinant bacterium and application thereof 淮阴工学院 2024-12-13 CN disclosed
WO-2024050825-A1 COMPOUNDS AS MLKL INHIBITORS NATIONAL INSTITUTE OF BIOLOGICAL SCIENCES, BEIJING (CN) 2024-03-14 WO disclosed
CN-111655700-B Oxadiazolopyridine derivatives as ghrelin O-acyltransferase (GOAT) inhibitors 勃林格殷格翰国际有限公司 2023-07-18 CN disclosed
EP-3746451-B1 BENZYL-, (PYRIDIN-3-YL)METHYL- OR (PYRIDIN-4-YL)METHYL-SUBSTITUTED OXADIAZOLOPYRIDINE DERIVATIVES AS GHRELIN O-ACYL TRANSFERASE (GOAT) INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2023-07-12 EP disclosed
EP-3746451-B1 BENZYL-, (PYRIDIN-3-YL)METHYL- OR (PYRIDIN-4-YL)METHYL-SUBSTITUTED OXADIAZOLOPYRIDINE DERIVATIVES AS GHRELIN O-ACYL TRANSFERASE (GOAT) INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2023-07-12 EP disclosed
US-20230016922-A1 VISIBLE-LIGHT MEDIATED ORGANOPHOTOREDOX CATALYTIC DEUTERATION OF AROMATIC AND ALIPHATIC ALDEHYDES NATIONAL INSTITUTES OF HEALTH 2023-01-19 US disclosed
US-11254688-B2 Benzyl-, (pyridin-3-yl)methyl -or (pyridin-4-yl)-methyl-substituted oxadiazolopyridine derivatives as ghrelin O-acyl transferase (GOAT) inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2022-02-22 US disclosed
US-11254688-B2 Benzyl-, (pyridin-3-yl)methyl -or (pyridin-4-yl)-methyl-substituted oxadiazolopyridine derivatives as ghrelin O-acyl transferase (GOAT) inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2022-02-22 US disclosed
US-20210053985-A1 BENZYL-, (PYRIDIN-3-YL)METHYL -OR (PYRIDIN-4-YL)-METHYL-SUBSTIITUTED OXADIAZOLOPYRIDINE DERIVATIVES AS GHRELIN O-ACYL TRANSFERASE (GOAT) INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2021-02-25 US disclosed
US-20210053985-A1 BENZYL-, (PYRIDIN-3-YL)METHYL -OR (PYRIDIN-4-YL)-METHYL-SUBSTIITUTED OXADIAZOLOPYRIDINE DERIVATIVES AS GHRELIN O-ACYL TRANSFERASE (GOAT) INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2021-02-25 US disclosed
US-5344834-A Functionalized vinyl azoles and methods of use SCHERING AKTIENGESELLSCHAFT (DE) 1994-09-06 US disclosed
US-5286252-A Diagnosis, evaluation and treatment of coronary artery disease by exercise simulation using closed loop drug delivery of an exercise simulating agent beta agonist GENSIA PHARMACEUTICALS, INC. (US) 1994-02-15 US disclosed
US-5234404-A Diagnosis, evaluation and treatment of coronary artery disease by exercise simulation using closed loop drug delivery of an exercise simulating agent beta agonist GENSIA PHARMACEUTICALS, INC. (US) 1993-08-10 US disclosed
US-5108363-A DIAGNOSIS, EVALUATION AND TREATMENT OF CORONARY ARTERY DISEASE BY EXERCISE SIMULATION USING CLOSED LOOP DRUG DELIVERY OF AN EXERCISE SIMULATING AGENT BETA AGONIST GENSIA PHARMACEUTICALS, INC. (US) 1992-04-28 US disclosed
EP-0329464-A2 System for the closed-loop administration of an exercise simulating agent GENSIA, INC. (US) 1989-08-23 EP disclosed
US-4659737-A Substituted aminomethyl benzopyrans having anti-hypertensive activities BAYER AKTIENGESELLSCHAFT (DE) 1987-04-21 US disclosed
US-4647579-A Circulation active novel substituted 4-hydroxy-benzopyrans BAYER AKTIENGESELLSCHAFT (DE) 1987-03-03 US disclosed
US-4336261-A IMIDAZO/1,2A/PYRIDINE, HYPOTENSIVE AGENTS MERCK & CO., INC. (US) 1982-06-22 US disclosed
US-4210653-A HYPOTENSIVE AGENTS MERCK & CO., INC. (US) 1980-07-01 US disclosed
EP-0006614-A2 Pyridyl- and imidazopyridyloxypropanolamines, process for preparing the same and pharmaceutical compositions containing the same MERCK & CO. INC. (US) 1980-01-09 EP 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-20210053985-A1 BENZYL-, (PYRIDIN-3-YL)METHYL -OR (PYRIDIN-4-YL)-METHYL-SUBSTIITUTED OXADIAZOLOPYRIDINE DERIVATIVES AS GHRELIN O-ACYL TRANSFERASE (GOAT) INHIBITORS MBOAT4, GIPR, ADIPOR1 ALDH1A1 630/4885FFAR1 176/4885CYP2A6 823/4885
US-11254688-B2 Benzyl-, (pyridin-3-yl)methyl -or (pyridin-4-yl)-methyl-substituted oxadiazolopyridine derivatives as ghrelin O-acyl transferase (GOAT) inhibitors MBOAT4, ADIPOR1, GIPR ALDH1A1 461/4885FFAR1 147/4885CYP2A6 1425/4885
US-20230016922-A1 VISIBLE-LIGHT MEDIATED ORGANOPHOTOREDOX CATALYTIC DEUTERATION OF AROMATIC AND ALIPHATIC ALDEHYDES AOX1, TDO2, TALDO1 ALDH1A1 34/4885FFAR1 1743/4885CYP2A6 338/4885

“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.