SCHEMBL5542873

SCHEMBL5542873

COc1ccc2c(c1)CCN=C2

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 3/20 0.49
CYP11B2 P19099 3/20 0.49
MAOA P21397 1/20 0.49
MAOB P27338 1/20 0.49
CYP19A1 P11511 1/20 0.43
BCL2 P10415 1/20 0.43
PTGS2 P35354 1/20 0.43
DRD2 P14416 2/20 0.41
DRD3 P35462 2/20 0.41
DRD1 P21728 1/20 0.41
DRD5 P21918 1/20 0.41
GAA P10253 1/20 0.40
CHRNA7 P36544 1/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 1/20 0.39

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 SCHEMBL10422731 0.98 CYP11B1 (0.48) CYP11B1CYP11B2MAOAMAOBCYP19A1
SCHEMBL29413869 0.86 CYP11B2 (0.43) CYP11B1CYP11B2MAOAMAOBCYP19A1
SCHEMBL8188259 0.86 CYP11B2 (0.43) CYP11B1CYP11B2MAOAMAOBCYP19A1
SCHEMBL9583120 0.81 ALDH1A1 (0.37) CYP11B1CYP11B2MAOAMAOBKDM4E
SCHEMBL9573518 0.81 CA1 (0.42) CYP11B1CYP11B2CYP19A1KDM4EALDH1A1
SCHEMBL28307317 0.78 STS (0.33) CYP11B1CYP11B2
SCHEMBL9572934 0.78 MEN1 (0.38) MAOAKDM4EALDH1A1LMNA
SCHEMBL30025550 0.76 ADRA2A (0.34) GAAKDM4EALDH1A1
SCHEMBL7938077 0.76 ADRA2A (0.34) GAAKDM4EALDH1A1
SCHEMBL251439 0.74 MAOA (0.47) MAOAMAOBGAACHRNA7KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4367123-A1 PYRIMIDINE COMPOUNDS FOR USE AS MAP4K1 INHIBITORS Glenmark Specialty S.A. (CH) 2024-05-15 EP disclosed
WO-2023281417-A1 PYRIMIDINE COMPOUNDS FOR USE AS MAP4K1 INHIBITORS GLENMARK SPECIALTY S.A. (CH) 2023-01-12 WO disclosed
CN-111621805-B Method for preparing 3, 4-dihydroisoquinoline by electrocatalytic selective dehydrogenation 天津大学 2022-02-18 CN disclosed
US-11197858-B2 Substituted amines for treating cardiac diseases CARDURION PHARMACEUTICALS, LLC (US) 2021-12-14 US disclosed
CN-111621805-A Method for preparing 3, 4-dihydroisoquinoline by electrocatalytic selective dehydrogenation 天津大学 2020-09-04 CN disclosed
US-10543212-B2 Substituted amines for treating cardiac diseases CARDURION PHARMACEUTICALS, LLC (US) 2020-01-28 US disclosed
CN-106795118-B Heterocyclic compound and their purposes as relevant orphan receptor (ROR) the GAMMA-T inhibitor of retinoids 武田药品工业株式会社 2019-10-08 CN disclosed
CN-106795118-A Heterocyclic compound to they as related orphan receptor (ROR) the GAMMA T inhibitor of retinoids purposes 武田药品工业株式会社 2017-05-31 CN disclosed
EP-2665724-A1 BICYCLIC INHIBITORS OF ALK AbbVie Inc. (US) 2013-11-27 EP disclosed
EP-2665727-A1 BICYCLIC CARBOXAMIDE INHIBITORS OF KINASES Abbvie Inc. (US) 2013-11-27 EP disclosed
EP-0869787-A1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1998-10-14 EP disclosed
WO-1997024122-A1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1997-07-10 WO disclosed
WO-1997024119-A1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1997-07-10 WO disclosed
WO-1997024124-A1 VITRONECTIN RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 1997-07-10 WO disclosed
US-5231181-A PROCESS FOR THE PREPARATION OF (8AS,12AS,13AS)-DECAHYDROISOQUINO ((2,1-G) (1,6)-NAPHTHYRIDIN-8-ONE DERIVATIVES SYNTEX (U.S.A.) INC. (US) 1993-07-27 US disclosed
US-5229387-A Cardiovascular disorders, alpha2-adenoreceptor antagonist or hydroxytryptamine receivers as hypotensive agents SYNTEX (U.S.A.) INC. (US) 1993-07-20 US disclosed
EP-0524004-A1 Decahydro-8H-isoquino[2,1-g][1,6]naphthyridine and decahydrobenzo[a]pyrrolo[2,3-e]quinolizine derivatives SYNTEX (U.S.A.) INC. (US) 1993-01-20 EP disclosed
EP-0505183-A2 Process for the preparation of (8aS,12aS,13aS)-decahydroisoquino[2,1-g][1,6]-naphthyridin-8-one derivatives SYNTEX (U.S.A.) INC. (US) 1992-09-23 EP disclosed
US-4678792-A ANTITHROMBIC AGENTS DR. KARL THOMAE GMBH (DE) 1987-07-07 US disclosed
EP-0154842-A2 Medicament containing quaternary 3,4-dihydroisoquinoline salts Dr. Karl Thomae GmbH (DE) 1985-09-18 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 (2 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-11197858-B2 Substituted amines for treating cardiac diseases TNNI3, CALM1, CAMK2G CYP11B1 1415/4885CYP11B2 1074/4885MAOA 179/4885
US-10543212-B2 Substituted amines for treating cardiac diseases TNNI3, CALM1, CAMK2G CYP11B1 1415/4885CYP11B2 1074/4885MAOA 179/4885

“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.