SCHEMBL5871371

SCHEMBL5871371

CC(CBr)c1ccc(F)cc1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 2/20 0.38
IDO1 P14902 2/20 0.38
TDO2 P48775 2/20 0.38
HTT P42858 1/20 0.38
TRPA1 O75762 1/20 0.36
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
SLC6A3 Q01959 1/20 0.36
ACHE P22303 1/20 0.36
PTPN1 P18031 1/20 0.35

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
SCHEMBL11024335 0.87 ESR1 (0.41) AOC3TRPA1ACHE
SCHEMBL1543906 0.82 AOC3 (0.36) AOC3IDO1TDO2HTTTRPA1
SCHEMBL3756197 0.79 CACNA1B (0.35) AOC3IDO1TDO2HTTCA1
SCHEMBL11542595 0.78 CYP2C19 (0.41)
SCHEMBL12538431 0.78 ALDH1A1 (0.44) AOC3IDO1TDO2
SCHEMBL777940 0.78 ALDH1A1 (0.44) AOC3IDO1TDO2
SCHEMBL28823451 0.78 ACHE (0.48) IDO1MAOAMAOBACHE
SCHEMBL16234256 0.78 ALDH1A1 (0.44) AOC3IDO1TDO2
SCHEMBL10456468 0.78 PYCR1 (0.41) MAOA
SCHEMBL28142952 0.78 ACHE (0.48) IDO1MAOAMAOBACHE

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025072395-A1 TRIAZOLOPYRIDINYL COMPOUNDS AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2025-04-03 WO disclosed
US-7071201-B2 Serotonin antagonism; muscle relaxant for myotonia; such as 1-(1-(2-(4-methoxyphenyl)ethyl)piperidin-4-yl)-7-methoxy-1,2,3,4 -tetrahydroquinoline EISAI CO., LTD. (JP) 2006-07-04 US disclosed
CN-1204121-C 1,4-substituted cyclic amine derivatives EISAI CO LTD (JP) 2005-06-01 CN disclosed
EP-0976732-B1 1,4-SUBSTITUTED CYCLIC AMINE DERIVATIVES EISAI CO LTD (JP) 2004-11-24 EP disclosed
US-6579881-B2 Indoles EISAI CO., LTD. (JP) 2003-06-17 US disclosed
US-6448243-B1 SEROTONIN ANTAGONIST FOR TREATING, AMELIORATING AND PREVENTING SPASTIC PARALYSIS OR CENTRAL MUSCLE RELAXANTS FOR AMELIORATING MYOTONIA EISAI CO., LTD. (JP) 2002-09-10 US disclosed
US-20020086999-A1 Certain quinoline derivatives EISAI CO., LTD. 2002-07-04 US disclosed
US-20020019531-A1 Indoles EISAI CO., LTD. 2002-02-14 US disclosed
CN-1253547-A 1,4-substituted cyclic amine derivatives EISAI CO LTD (JP) 2000-05-17 CN disclosed
EP-0976732-A1 1,4-SUBSTITUTED CYCLIC AMINE DERIVATIVES Eisai Co., Ltd. (JP) 2000-02-02 EP disclosed
US-5981529-A Substituted indolylpropyl-piperazine derivatives as 5-HT1D α agonists MERCK SHARP & DOHME LIMITED (GB) 1999-11-09 US disclosed
EP-0854714-A1 SUBSTITUTED INDOLYLPROPYL-PIPERAZINE DERIVATIVES AS 5-HT 1DALPHA? AGONISTS MERCK SHARP & DOHME LTD. (GB) 1998-07-29 EP disclosed
WO-1997011695-A1 SUBSTITUTED INDOLYLPROPYL-PIPERAZINE DERIVATIVES AS 5-HT1DALPHA AGONISTS MERCK SHARP & DOHME LIMITED (GB) 1997-04-03 WO 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 (2 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-20020019531-A1 Indoles INMT, MUSK, MB AOC3 3224/4885IDO1 8/4885TDO2 190/4885
US-20020086999-A1 Certain quinoline derivatives CHRM1, CHRNA5, CHRNA4 AOC3 3083/4885IDO1 347/4885TDO2 592/4885

“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.