SCHEMBL6795368

SCHEMBL6795368

NCc1coc2ccccc12

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.54
MAOB P27338 4/20 0.53
CYP11B1 P15538 3/20 0.44
CYP11B2 P19099 3/20 0.44
CYP17A1 P05093 1/20 0.44
CYP19A1 P11511 1/20 0.44
IL4I1 Q96RQ9 1/20 0.43
PSMB8 P28062 1/20 0.42
PSMB5 P28074 1/20 0.42
MAOA P21397 2/20 0.41
SIGMAR1 Q99720 1/20 0.41
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA9 Q16790 1/20 0.40
PTPN1 P18031 1/20 0.40
LOXL2 Q9Y4K0 1/20 0.39
CYP2A6 P11509 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
SCHEMBL30824566 1.00 CA2 (0.54) CA2MAOBCYP11B1CYP11B2CYP17A1
Hydrochloric Acid SCHEMBL15818713 0.98 CA2 (0.53) CA2MAOBCYP11B1CYP11B2CYP17A1
SCHEMBL8359747 0.84 MAOB (0.71) CA2MAOBCYP11B1CYP11B2CYP17A1
SCHEMBL30396397 0.83 HTR1D (0.53) CA2MAOBCYP11B1CYP11B2CYP17A1
SCHEMBL140189 0.83 HTR1D (0.53) CA2MAOBCYP11B1CYP11B2CYP17A1
Hydrochloric Acid SCHEMBL30297758 0.82 HTR1D (0.51) CA2MAOBCYP11B1CYP11B2CYP17A1
Hydrochloric Acid SCHEMBL20542639 0.82 HTR1D (0.51) CA2MAOBCYP11B1CYP11B2CYP17A1
SCHEMBL5237537 0.80 CA2 (0.49) CA2MAOBCYP11B1CYP11B2CYP17A1
SCHEMBL6511946 0.80 MAOB (0.71) CA2MAOBCYP11B1CYP11B2CYP17A1
SCHEMBL5235143 0.79 CA2 (0.47) CA2MAOBCYP11B1CYP11B2CYP17A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240400499-A1 NOVEL AMINO ACID DERIVATIVES PEPTIDREAM INC (JP) 2024-12-05 US disclosed
US-20240067631-A1 PYRAZOLE DERIVATIVES USEFUL AS NAMPT MODULATORS CYTOKINETICS, INC. 2024-02-29 US disclosed
EP-3546454-B1 BENZOHETEROCYCLYL ALKYLAMINE COMPOUND AND USE THEREOF UNIV EAST CHINA SCIENCE & TECH (CN) 2023-09-27 EP disclosed
EP-3601224-B1 CHEMICAL COMPOUNDS AS ANTIBIOTICS ANTABIO SAS (FR) 2023-07-05 EP disclosed
CN-110914238-B Compounds as antibiotics 安塔比奥公司 2023-06-20 CN disclosed
US-11597727-B2 Inhibitors of integrin alpha 2 beta 1 and methods of use THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2023-03-07 US disclosed
US-20210387986-A1 INHIBITORS OF INTEGRIN ALPHA 2 BETA 1 AND METHODS OF USE THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2021-12-16 US disclosed
WO-2021216998-A1 MODIFIED NUCLEOTIDES AND USES THEREOF Singular Genomics Systems, Inc. (US) 2021-10-28 WO disclosed
US-11000511-B2 Chemical compounds as antibiotics ANTABIO SAS (FR) 2021-05-11 US disclosed
EP-3765005-A1 INHIBITORS OF INTEGRIN ALPHA 2 BETA 1 AND METHODS OF USE The Regents of the University of California (US) 2021-01-20 EP disclosed
JP-2000007671-A 2,3-DIHYDROBENZOFURAN DERIVATIVE ASAHI CHEM IND CO LTD 2000-01-11 JP disclosed
US-5807889-A PSYCHOLOGICAL AND NERVOUS SYSTEM DISORDERS H. LUNDBECK A/S (DK) 1998-09-15 US disclosed
US-5792791-A FOR PREVENTION AND TREATMENT OF SEROTONERGIC NEURON-RELATED DISEASES; HYPOTENSIVE AGENTS ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 1998-08-11 US disclosed
CN-1114834-A antidiabetic agent OTSUKA PHARMA CO LTD (JP) 1996-01-10 CN disclosed
EP-0670831-A1 QUINOXALINE DERIVATIVE AS ANTIDIABETIC AGENT OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1995-09-13 EP disclosed
WO-1995009159-A1 QUINOXALINE DERIVATIVE AS ANTIDIABETIC AGENT OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1995-04-06 WO disclosed
EP-0259092-B1 SUBSTITUTED HEXAHYDROARYLQUINOLIZINES MERCK & CO. INC. (US) 1992-07-22 EP disclosed
US-4916223-A ALPAH 2-ADRENOCEPTOR ANTAGONISTS MERCK & CO., INC. (US) 1990-04-10 US disclosed
US-4831035-A Substituted hexahydroarylquinolizines MERCK & CO., INC. (US) 1989-05-16 US disclosed
EP-0259092-A1 Substituted hexahydroarylquinolizines MERCK & CO. INC. (US) 1988-03-09 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 (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-11597727-B2 Inhibitors of integrin alpha 2 beta 1 and methods of use ITGB1, ITGB2, ITGA2 CA2 1117/4885MAOB 2880/4885CYP11B1 4469/4885
US-20210387986-A1 INHIBITORS OF INTEGRIN ALPHA 2 BETA 1 AND METHODS OF USE ITGB1, ITGB2, ITGA2 CA2 1117/4885MAOB 2880/4885CYP11B1 4469/4885
US-20240067631-A1 PYRAZOLE DERIVATIVES USEFUL AS NAMPT MODULATORS NAMPT, NNT, NAPRT CA2 3380/4885MAOB 716/4885CYP11B1 251/4885
US-11000511-B2 Chemical compounds as antibiotics MRPL21, CFTR, H1-0 CA2 3287/4885MAOB 2404/4885CYP11B1 4604/4885
US-20240400499-A1 NOVEL AMINO ACID DERIVATIVES BCAT1, BCAT2, PELP1 CA2 3956/4885MAOB 4698/4885CYP11B1 4665/4885

“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.