SCHEMBL5675865

SCHEMBL5675865

CC(C)(CN)Oc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.46
SLC6A2 P23975 1/20 0.41
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
PRMT1 Q99873 1/20 0.39
CA4 P22748 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
RIPK1 Q13546 1/20 0.37
ALDH1A1 P00352 1/20 0.37
LTA4H P09960 2/20 0.36
PLA2G2A P14555 1/20 0.36
AOC3 Q16853 1/20 0.36
TSHR P16473 1/20 0.36
PPARG P37231 1/20 0.36
KCNA3 P22001 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
SCHEMBL21252698 0.83 TAAR1 (0.37) TAAR1SLC6A2CYP1A2CYP3A4CYP2D6
SCHEMBL3937220 0.82 PPARG (0.39) TAAR1SLC6A2CYP1A2CYP3A4CYP2D6
SCHEMBL7598654 0.80 ELANE (0.55) SMN1; SMN2ALDH1A1PPARG
SCHEMBL11254145 0.80 ACHE (0.41) TAAR1CYP1A2CYP3A4SMN1; SMN2ALDH1A1
SCHEMBL7143398 0.79 TAAR1 (0.43) TAAR1CA4LTA4HPLA2G2AAOC3
SCHEMBL183720 0.79 LTA4H (0.40) TAAR1SLC6A2CA4RIPK1ALDH1A1
SCHEMBL5392701 0.78 SCN10A (0.32) TAAR1PPARG
SCHEMBL15718370 0.78 ALDH1A1 (0.41) TAAR1ALDH1A1LTA4H
SCHEMBL18260863 0.78 APP (0.41) TAAR1CYP3A4
SCHEMBL3161252 0.78 MAOB (0.40) TAAR1CYP1A2CYP2D6ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2951179-B1 SPIRO-QUINAZOLINONE DERIVATIVES USEFUL FOR THE TREATMENT OF NEUROLOGICAL DISEASES AND CONDITIONS MERCK PATENT GMBH (DE) 2020-03-11 EP claimed
US-9708321-B2 Spiro-quinazolinone derivatives and their use as positive allosteric modulators of mGluR4 MERCK PATENT GMBH (DE) 2017-07-18 US claimed
US-20150361079-A1 Spiro-Quinazolinone Derivatives and their Use as Positive Allosteric Modulators of mGluR4 MERCK PATENT GMBH (DE) 2015-12-17 US claimed
US-20220380319-A1 SUBSTITUTED BENZIMIDAZOLE CARBOXAMIDES AND THEIR USE IN THE TREATMENT OF MEDICAL DISORDERS BIAL R&D INVEST S A (PT) 2022-12-01 US disclosed
EP-4031532-A1 SUBSTITUTED BENZIMIDAZOLE CARBOXAMIDES AND THEIR USE IN THE TREATMENT OF MEDICAL DISORDERS Bial-R&D Investments, S.A. (PT) 2022-07-27 EP disclosed
CN-114787136-A Substituted benzimidazole carboxamides and their use in the treatment of medical disorders 比亚尔R&D投资股份公司 2022-07-22 CN disclosed
WO-2021055591-A1 SUBSTITUTED BENZIMIDAZOLE CARBOXAMIDES AND THEIR USE IN THE TREATMENT OF MEDICAL DISORDERS BIAL-BioTech Investments, Inc. (US) 2021-03-25 WO disclosed
EP-2951179-B1 SPIRO-QUINAZOLINONE DERIVATIVES USEFUL FOR THE TREATMENT OF NEUROLOGICAL DISEASES AND CONDITIONS MERCK PATENT GMBH (DE) 2020-03-11 EP disclosed
US-20180273528-A1 IMIDAZO[4,5-b]PYRIDINE DERIVATIVES, A PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM LES LABORATOIRES SERVIER (FR) 2018-09-27 US disclosed
EP-3356363-A1 NEW IMIDAZO[4,5-B]PYRIDINE DERIVATIVES AS DUAL DYRK1/CLK1 INHIBITORS Les Laboratoires Servier (FR) 2018-08-08 EP disclosed
US-9708321-B2 Spiro-quinazolinone derivatives and their use as positive allosteric modulators of mGluR4 MERCK PATENT GMBH (DE) 2017-07-18 US disclosed
EP-1619189-B1 N-(3-acyl-2-hydroxyalkyl) cycloalkyl amide derivatives SEIKAGAKU KOGYO CO LTD (JP) 2013-09-04 EP disclosed
EP-1008592-B1 Cyclic amide derivatives which inhibit cathepsin K SEIKAGAKU KOGYO CO LTD (JP) 2006-02-01 EP disclosed
EP-1619189-A1 N-(3-acyl-2-hydroxyalkyl) cycloalkyl amide derivatives SEIKAGAKU CORPORATION (JP) 2006-01-25 EP disclosed
EP-1616867-A1 Hydroxycarboxylic acid derivatives SEIKAGAKU CORPORATION (JP) 2006-01-18 EP disclosed
EP-1616859-A1 Substituted cyclohexyl carboxylic acid compounds SEIKAGAKU CORPORATION (JP) 2006-01-18 EP disclosed
US-6927302-B2 Process for the arylation of olefins BAYER AKTIENGESELLSCHAFT (DE) 2005-08-09 US disclosed
US-20030050500-A1 Process for the arylation of olefins LANXESS DEUTSCHLAND GMBH (DE) 2003-03-13 US disclosed
US-6117870-A USEFUL AS THERAPEUTIC DRUG OR PREVENTIVE DRUG OF ARTHRITIS AND RHEUMATISM DUE TO INCREASE OF BONE RESORPTION IN ADDITION TO BONE DISEASES SUCH AS OSTEOPOROSIS, HYPERCALCEMIA, AND PAGET'S DISEASE FUJIREBIO KABUSHIKI KAISHA (JP) 2000-09-12 US disclosed
EP-1008592-A2 Cyclic amide derivatives which inhibit cathepsin K Fujirebio Kabushiki Kaisha (JP) 2000-06-14 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 (4 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-20180273528-A1 IMIDAZO[4,5-b]PYRIDINE DERIVATIVES, A PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM IDH2, CYP4B1, RB1 TAAR1 2324/4885SLC6A2 3931/4885CYP1A2 46/4885
US-20150361079-A1 Spiro-Quinazolinone Derivatives and their Use as Positive Allosteric Modulators of mGluR4 GRM4, GRIA4, GRIK4 TAAR1 436/4885SLC6A2 637/4885CYP1A2 4455/4885
US-20030050500-A1 Process for the arylation of olefins AOC2, NOX1, AOC3 TAAR1 119/4885SLC6A2 396/4885CYP1A2 36/4885
US-20220380319-A1 SUBSTITUTED BENZIMIDAZOLE CARBOXAMIDES AND THEIR USE IN THE TREATMENT OF MEDICAL DISORDERS GAA, GBA1, CLN6 TAAR1 3738/4885SLC6A2 1936/4885CYP1A2 2245/4885

“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.