SCHEMBL695878

SCHEMBL695878

Clc1cccc(Br)c1CBr

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 2/20 0.43
AKR1B1 P15121 1/20 0.40
ALDH1A1 P00352 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
CYP1A2 P05177 1/20 0.36
CYP2A6 P11509 1/20 0.36
GAA P10253 1/20 0.35
LMNA P02545 1/20 0.35
TSHR P16473 1/20 0.35
PIEZO1 Q92508 1/20 0.35
GLA P06280 1/20 0.34
HTT P42858 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
CYP2A13 Q16696 1/20 0.34
DPP4 P27487 1/20 0.33
PNMT P11086 1/20 0.33

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
SCHEMBL29649325 1.00 TAAR1 (0.43) TAAR1AKR1B1ALDH1A1SMN1; SMN2CYP1A2
SCHEMBL9770 0.85 TAAR1 (0.50) TAAR1AKR1B1ALDH1A1SMN1; SMN2CYP1A2
SCHEMBL11029873 0.82 TAAR1 (0.48) TAAR1AKR1B1ALDH1A1SMN1; SMN2CYP1A2
SCHEMBL27547823 0.82 TAAR1 (0.45) TAAR1AKR1B1ALDH1A1SMN1; SMN2CYP1A2
SCHEMBL173876 0.82 ALDH1A1 (0.36) TAAR1ALDH1A1TSHR
SCHEMBL30831849 0.81 TAAR1 (0.43) TAAR1AKR1B1ALDH1A1SMN1; SMN2CYP1A2
SCHEMBL21768197 0.81 TAAR1 (0.43) TAAR1AKR1B1ALDH1A1SMN1; SMN2CYP1A2
SCHEMBL11462339 0.79 TAAR1 (0.41) TAAR1AKR1B1ALDH1A1SMN1; SMN2CYP1A2
SCHEMBL29960244 0.79 AKR1B1 (0.43) TAAR1AKR1B1ALDH1A1SMN1; SMN2CYP1A2
SCHEMBL15569427 0.79 AKR1B1 (0.43) TAAR1AKR1B1ALDH1A1SMN1; SMN2CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12583858-B2 TDO2 inhibitors GENENTECH, INC. (US) 2026-03-24 US disclosed
US-12421217-B2 Pyrazine derivative or salt thereof, and use of same FUJIFILM CORPORATION (JP) 2025-09-23 US disclosed
CN-119431362-A Substituted heteroaryl carboxylic acid compound, preparation method and pharmaceutical application thereof 中国医学科学院药物研究所 2025-02-14 CN disclosed
EP-3394068-B1 TDO2 INHIBITORS GENENTECH INC (US) 2024-09-11 EP disclosed
EP-4052760-B1 PYRAZINE DERIVATIVE OR SALT THEREOF, AND USE OF SAME FUJIFILM CORP (JP) 2024-03-13 EP disclosed
WO-2023147597-A2 ALLOSTERIC STING MODULATORS AND METHODS OF USE THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2023-08-03 WO disclosed
US-20230047296-A1 Nrf2 REGULATORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2023-02-16 US disclosed
US-20220306635-A1 TDO2 Inhibitors GENENTECH, INC. 2022-09-29 US disclosed
WO-2022204150-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CNS DISORDERS BLUE OAK PHARMACEUTICALS, INC. (US) 2022-09-29 WO disclosed
EP-4052760-A1 PYRAZINE DERIVATIVE OR SALT THEREOF, AND USE OF SAME FUJIFILM Corporation (JP) 2022-09-07 EP disclosed
WO-2009070873-A1 SUBSTITUTED 2-NAPHTHOIC ACIDS AS ANTAGONISTS OF GPR105 ACTIVITY MERCK FROSST CANADA LTD. (CA) 2009-06-11 WO disclosed
EP-1807072-B1 CYCLOALKYL LACTAM DERIVATIVES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE 1 LILLY CO ELI (US) 2009-01-07 EP disclosed
US-20080275043-A1 Cycloalkyl Lactam Derivatives as Inhibitors of 11-Beta-Hydroxysteroid Dehydrogenase 1 ELI LILLY AND COMPANY 2008-11-06 US disclosed
WO-2008109697-A2 PPAR ACTIVE COMPOUNDS PLEXXIKON, INC. (US) 2008-09-12 WO disclosed
EP-1474414-B1 DIHYDRO-THIA-PHENANTHRENE-CARBONYL-GUANIDINES, METHOD FOR THE PRODUCTION THEREOF, USE THEREOF AS A MEDICAMENT OR DIAGNOSTIC REAGENT SANOFI AVENTIS DEUTSCHLAND (DE) 2007-12-12 EP disclosed
US-4271164-A HYPOTENSIVE AGENTS WARNER-LAMBERT COMPANY (US) 1981-06-02 US disclosed
US-4271183-A HYPOTENSIVES, VASODILATORS, ANTICOAGULANTS, ANTISECRETORY, BRONCHODILATORS, ANTIASTHMATICS, LUTEOLYTICS, OXYTOCICS FARMITALIA CARLO ERBA S.P.A. (IT) 1981-06-02 US disclosed
US-4259349-A INSECTICIDES, MITICIDES SHELL OIL COMPANY (US) 1981-03-31 US disclosed
EP-0018151-A1 6-Substituted-arylpyrido(2,3-d)pyrimidin-7-amines, derivatives and salts thereof, pharmaceutical compositions containing any of the foregoing, and processes for producing any of the foregoing WARNER-LAMBERT COMPANY (US) 1980-10-29 EP disclosed
US-4230721-A 2H-CYCLOPENTA/B/FURAN DERIVATIVES FARMITALIA CARLO ERBA S.P.A. (IT) 1980-10-28 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 (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-12583858-B2 TDO2 inhibitors TDO2, IDO2, TPH2 TAAR1 230/4885AKR1B1 873/4885ALDH1A1 1758/4885
US-20080275043-A1 Cycloalkyl Lactam Derivatives as Inhibitors of 11-Beta-Hydroxysteroid Dehydrogenase 1 HSD11B1, HSDL2, HSD17B1 TAAR1 4341/4885AKR1B1 109/4885ALDH1A1 108/4885
US-12421217-B2 Pyrazine derivative or salt thereof, and use of same DHODH, IDH1, IDH2 TAAR1 3672/4885AKR1B1 63/4885ALDH1A1 117/4885
US-20230047296-A1 Nrf2 REGULATORS NFE2L2, KEAP1, NQO1 TAAR1 2709/4885AKR1B1 360/4885ALDH1A1 621/4885
US-20220306635-A1 TDO2 Inhibitors TDO2, IDO2, IDO1 TAAR1 824/4885AKR1B1 1221/4885ALDH1A1 1849/4885

“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.