SCHEMBL1701852

SCHEMBL1701852

Cc1ccc2c(c1)CCC(=O)C2

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 1/20 0.54
METAP1 P53582 2/20 0.47
CYP3A4 P08684 3/20 0.46
CYP1A2 P05177 3/20 0.46
CYP2C9 P11712 2/20 0.46
CYP11B1 P15538 2/20 0.46
CYP11B2 P19099 2/20 0.46
CYP2C19 P33261 2/20 0.46
SRD5A1 P18405 5/20 0.42
PARP10 Q53GL7 2/20 0.42
PARP11 Q9NR21 1/20 0.42
PARP1 P09874 1/20 0.42
ALDH1A1 P00352 1/20 0.40
NOTUM Q6P988 1/20 0.40
ACHE P22303 1/20 0.39
PDE5A O76074 1/20 0.37
HSD17B10 Q99714 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL3847559 0.92 CYP2A6 (0.54) CYP2A6METAP1CYP3A4CYP1A2CYP2C9
SCHEMBL12430501 0.88 METAP1 (0.44) CYP2A6METAP1CYP3A4CYP1A2CYP2C9
SCHEMBL10177007 0.87 METAP1 (0.46) CYP2A6METAP1CYP3A4SRD5A1PARP10
SCHEMBL4971962 0.85 CYP1A2 (0.56) CYP2A6METAP1CYP3A4CYP1A2CYP2C9
SCHEMBL6584911 0.85 METAP1 (0.52) CYP2A6METAP1CYP3A4CYP1A2PARP10
SCHEMBL27861246 0.81 CYP2A6 (0.46) CYP2A6METAP1CYP3A4CYP1A2CYP2C9
SCHEMBL27844103 0.81 CYP2A6 (0.46) CYP2A6METAP1CYP3A4CYP1A2CYP2C9
SCHEMBL17037968 0.80 METAP1 (0.44) CYP2A6METAP1CYP3A4SRD5A1PARP10
SCHEMBL5146565 0.80 METAP1 (0.44) CYP2A6METAP1CYP3A4PARP10PARP11
SCHEMBL5929505 0.78 CYP2A6 (0.58) CYP2A6METAP1CYP3A4CYP1A2CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11905248-B2 Compounds that modulate intracellular calcium CALCIMEDICA, INC. (US) 2024-02-20 US disclosed
US-20230192733-A1 SUBSTITUTED PHENYL ET458HYNYL PYRIDINE CARBOXAMIDES AS POTENT INHIBITORS OF SARS VIRUS SOUTHERN RESEARCH INSTITUTE 2023-06-22 US disclosed
US-20200317617-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM AVENUE CAPITAL MANAGEMENT II, L.P. 2020-10-08 US disclosed
US-20200317617-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM AVENUE CAPITAL MANAGEMENT II, L.P. 2020-10-08 US disclosed
US-10703722-B2 Compounds that modulate intracellular calcium CALCIMEDICA, INC. (US) 2020-07-07 US disclosed
US-10703722-B2 Compounds that modulate intracellular calcium CALCIMEDICA, INC. (US) 2020-07-07 US disclosed
US-10005767-B2 Compositions and methods for inhibition of the JAK pathway RIGEL PHARMACEUTICALS, INC. (US) 2018-06-26 US disclosed
US-10000450-B2 N,N-substituted 3-aminopyrrolidine compounds useful as monoamines reuptake inhibitors OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2018-06-19 US disclosed
US-20180162848-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY RIGEL PHARMACEUTICALS, INC. (US) 2018-06-14 US disclosed
US-20180072721-A1 NOVEL 3,5-DISUBSTITUTED-3H-IMIDAZO[4,5-B]PYRIDINE AND 3,5-DISUBSTITUTED-3H-[1,2,3]TRIAZOLO[4,5-B] PYRIDINE COMPOUNDS AS MODULATORS OF C-MET PROTEIN KINASES RHIZEN PHARMACEUTICALS AG (CH) 2018-03-15 US disclosed
EP-1140908-A1 TRIAZOLE COMPOUNDS WITH DOPAMINE-D3-RECEPTOR AFFINITY BASF AKTIENGESELLSCHAFT (DE) 2001-10-10 EP disclosed
WO-2000042038-A1 TRIAZOLE COMPOUNDS WITH DOPAMINE-D3-RECEPTOR AFFINITY BASF AKTIENGESELLSCHAFT (DE) 2000-07-20 WO disclosed
EP-0343830-B1 Ring-substituted 2-amino-1,2,3,4-tetrahydronaphthalenes LILLY CO ELI (US) 1994-07-13 EP disclosed
CN-1024665-C process for preparing ring-substituted 2-amino-1, 2, 3, 4-tetrahydronaphthalenes LILLY CO ELI (US) 1994-05-25 CN disclosed
EP-0414289-B1 Spirocyclic antipsychotic agents MERCK SHARP & DOHME (GB) 1994-02-23 EP disclosed
US-5026707-A Antiserotonine agents ELI LILLY AND COMPANY (US) 1991-06-25 US disclosed
EP-0414289-A1 Spirocyclic antipsychotic agents MERCK SHARP & DOHME LTD. (GB) 1991-02-27 EP disclosed
CN-1038644-A Nuclear substituted 2-amino-1,2,3,4-tetralin class LILLY CO ELI (US) 1990-01-10 CN disclosed
EP-0103990-A1 Process for making diarylamines UNIROYAL, INC. (US) 1984-03-28 EP disclosed
US-4431841-A REACTING PRIMARY AROMATIC AMINES AND ALICYCLIC KETONES USING AN ACID PROMOTER AND A PLATINUM CATALYST UNIROYAL, INC. (US) 1984-02-14 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 (8 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-20180162848-A1 COMPOSITIONS AND METHODS FOR INHIBITION OF THE JAK PATHWAY JAK3, JAK2, JAK1 CYP2A6 2674/4885METAP1 3367/4885CYP3A4 3595/4885
US-10703722-B2 Compounds that modulate intracellular calcium ORAI1, SARAF, RYR2 CYP2A6 4078/4885METAP1 3884/4885CYP3A4 4329/4885
US-10000450-B2 N,N-substituted 3-aminopyrrolidine compounds useful as monoamines reuptake inhibitors SLC6A2, TPH1, SLC6A3 CYP2A6 565/4885METAP1 206/4885CYP3A4 380/4885
US-20230192733-A1 SUBSTITUTED PHENYL ET458HYNYL PYRIDINE CARBOXAMIDES AS POTENT INHIBITORS OF SARS VIRUS SARS1, ACE2, ACE CYP2A6 2133/4885METAP1 1341/4885CYP3A4 106/4885
US-20180072721-A1 NOVEL 3,5-DISUBSTITUTED-3H-IMIDAZO[4,5-B]PYRIDINE AND 3,5-DISUBSTITUTED-3H-[1,2,3]TRIAZOLO[4,5-B] PYRIDINE COMPOUNDS AS MODULATORS OF C-MET PROTEIN KINASES MET, PRKCH, PRKCE CYP2A6 4326/4885METAP1 999/4885CYP3A4 3736/4885
US-20200317617-A1 COMPOUNDS THAT MODULATE INTRACELLULAR CALCIUM ORAI1, SARAF, RYR2 CYP2A6 4078/4885METAP1 3884/4885CYP3A4 4329/4885
US-10005767-B2 Compositions and methods for inhibition of the JAK pathway JAK3, JAK2, JAK1 CYP2A6 3282/4885METAP1 3500/4885CYP3A4 3814/4885
US-11905248-B2 Compounds that modulate intracellular calcium ORAI1, SARAF, RYR2 CYP2A6 4078/4885METAP1 3884/4885CYP3A4 4329/4885

“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.