SCHEMBL1989112

SCHEMBL1989112

COc1ccc(C(C)CN)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.56
CYP1A2 P05177 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C19 P33261 1/20 0.50
SLC6A4 P31645 1/20 0.48
CA1 P00915 2/20 0.48
CA2 P00918 2/20 0.48
CA12 O43570 1/20 0.48
CA7 P43166 1/20 0.48
CA9 Q16790 1/20 0.48
CA14 Q9ULX7 1/20 0.48
ALDH1A1 P00352 1/20 0.47
GAA P10253 1/20 0.47
MAPT P10636 1/20 0.47
AOC3 Q16853 3/20 0.47
HTR2A P28223 1/20 0.46
HTR2C P28335 1/20 0.46
HTR2B P41595 1/20 0.46
ABCB11 O95342 1/20 0.46
ACHE P22303 1/20 0.46

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
SCHEMBL4014153 1.00 TAAR1 (0.56) TAAR1CYP1A2CYP2D6CYP2C19SLC6A4
SCHEMBL6183991 1.00 TAAR1 (0.56) TAAR1CYP1A2CYP2D6CYP2C19SLC6A4
Hydrochloric Acid SCHEMBL5877324 0.98 TAAR1 (0.54) TAAR1CYP1A2CYP2D6CYP2C19SLC6A4
SCHEMBL4615276 0.83 ALDH1A1 (0.54) TAAR1CYP1A2CYP2D6CYP2C19SLC6A4
SCHEMBL3006604 0.83 TAAR1 (0.75) TAAR1ALDH1A1AOC3HTR2AHTR2C
SCHEMBL6575966 0.83 ABCB11 (0.70) CYP1A2MAPTABCB11
SCHEMBL18627978 0.83 CYP1A2 (0.47) TAAR1CYP1A2CYP2D6CYP2C19SLC6A4
SCHEMBL22291711 0.82 CA1 (0.52) CYP1A2CYP2D6CYP2C19SLC6A4CA1
SCHEMBL4454111 0.82 CA1 (0.52) CYP1A2CYP2D6CYP2C19SLC6A4CA1
Hydrochloric Acid SCHEMBL4615417 0.82 ALDH1A1 (0.53) TAAR1CYP1A2CYP2D6CYP2C19SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7790900-B2 Method for producing an optically active nitro compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-09-07 US claimed
JP-63054362-A None JP disclosed
EP-4710923-A2 INDOLE AHR INHIBITORS AND USES THEREOF Ikena Oncology, Inc. (US) 2026-03-18 EP disclosed
EP-3612030-B1 INDOLE AHR INHIBITORS AND USES THEREOF IKENA ONCOLOGY INC (US) 2025-12-24 EP disclosed
US-20250122205-A1 INDOLE AHR INHIBITORS AND USES THEREOF PAHR THERAPEUTICS, INC. 2025-04-17 US disclosed
US-12077542-B2 Indole AHR inhibitors and uses thereof Ikena Oncology, Inc. (US) 2024-09-03 US disclosed
CN-110831600-B Indole AHR inhibitors and uses thereof 医肯纳肿瘤学公司 2023-10-17 CN disclosed
WO-2023191721-A2 PRODUCTION OF ENANTIOPURE ALCOHOLS, AMINES AND ACIDS FROM ALKENES BY CASCADE BIOTRANSFORMATION INVOLVING 1,2-METHYL SHIFT NATIONAL UNIVERSITY OF SINGAPORE (SG) 2023-10-05 WO disclosed
US-20230234917-A1 ASPARAGINE DERIVATIVES AND METHODS OF USING SAME SENDA BIOSCIENCES INC (US) 2023-07-27 US disclosed
US-20230234917-A1 ASPARAGINE DERIVATIVES AND METHODS OF USING SAME SENDA BIOSCIENCES INC (US) 2023-07-27 US disclosed
US-5010091-A Animal growth regulators BAYER AKTIENGESELLSCHAFT (DE) 1991-04-23 US disclosed
US-4948810-A PLATELET AGGREGATION INHIBITORS TANABE SEIYAKU CO., LTD. (JP) 1990-08-14 US disclosed
US-4866196-A ANTICOAGULANTS TANABE SEIYAKU CO., LTD. (JP) 1989-09-12 US disclosed
EP-0325245-A1 Phenoxyacetic acid derivatives, preparation thereof, pharmaceutical compositions comprising them and use TANABE SEIYAKU CO., LTD. (JP) 1989-07-26 EP disclosed
US-4810811-A CHEMICAL INTERMEDIATES SMITHKLINE BECKMAN CORPORATION (US) 1989-03-07 US disclosed
JP-S6354362-A CARBOSTYRIL COMPOUND TANABE SEIYAKU CO LTD 1988-03-08 JP disclosed
EP-0255728-A2 Phenoxyacetic acid compounds, their preparation, pharmaceutical composition and use TANABE SEIYAKU CO., LTD. (JP) 1988-02-10 EP disclosed
US-4707488-A HYPOTENSIVE AGENTS SMITHKLINE BECKMAN CORPORATION (US) 1987-11-17 US disclosed
EP-0191621-A2 Dopamine-bêta-hydroxylase inhibitors SMITHKLINE BECKMAN CORPORATION (US) 1986-08-20 EP disclosed
EP-0147719-A2 Novel carbostyril derivative and process for preparing same Tanabe Seiyaku Co., Ltd. (JP) 1985-07-10 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-20250122205-A1 INDOLE AHR INHIBITORS AND USES THEREOF AHR, ARNT, IDO1 TAAR1 399/4885CYP1A2 55/4885CYP2D6 159/4885
US-20230234917-A1 ASPARAGINE DERIVATIVES AND METHODS OF USING SAME ASNS, SI, NARS1 TAAR1 4825/4885CYP1A2 2910/4885CYP2D6 1753/4885
US-12077542-B2 Indole AHR inhibitors and uses thereof AHR, ARNT, IDO1 TAAR1 399/4885CYP1A2 55/4885CYP2D6 159/4885

“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.