SCHEMBL91061

SCHEMBL91061

CCc1ccc(C(F)(F)F)cc1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.54
IDO1 P14902 4/20 0.52
MAOB P27338 2/20 0.47
ALDH1A1 P00352 3/20 0.46
PYCR1 P32322 1/20 0.46
KDM4E B2RXH2 1/20 0.45
KIF11 P52732 1/20 0.44
KMT2A Q03164 1/20 0.44
MIF P14174 1/20 0.44
TP53 P04637 1/20 0.43
TSHR P16473 1/20 0.43
MAPT P10636 1/20 0.43

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
Ammonia Solution, Strong SCHEMBL266277 0.97 TAAR1 (0.52) TAAR1IDO1MAOBALDH1A1PYCR1
SCHEMBL1687449 0.93 MAOB (0.57) TAAR1IDO1MAOBKIF11
SCHEMBL31277159 0.93 SRD5A2 (0.50) TAAR1IDO1MAOBALDH1A1PYCR1
SCHEMBL29124537 0.91 TAAR1 (0.47) TAAR1IDO1MAOBALDH1A1PYCR1
SCHEMBL12603780 0.87 PTGS1 (0.52) TAAR1MAOB
SCHEMBL8990814 0.87 MAOB (0.61) TAAR1MAOBKIF11MIF
SCHEMBL12806599 0.87 MEN1 (0.48) TAAR1IDO1MAOBKMT2AMAPT
SCHEMBL19010903 0.84 TP53 (0.47) TAAR1IDO1MAOBALDH1A1KDM4E
SCHEMBL7729573 0.82 MAOB (0.44) TAAR1IDO1MAOBKMT2ATSHR
SCHEMBL18164548 0.82 MAOB (0.70) IDO1MAOB

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 1675 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230348387-A1 NON-LYSOSOMAL GLUCOSYLCERAMIDASE INHIBITORS AND USES THEREOF ALECTOS THERAPEUTICS INC. (CA) 2023-11-02 US claimed
US-20230174486-A1 NON-LYSOSOMAL GLUCOSYLCERAMIDASE INHIBITORS AND USES THEREOF ALECTOS THERAPEUTICS INC. (CA) 2023-06-08 US claimed
EP-4168409-A1 VMAT2 INHIBITORS AND METHODS OF USE Neurocrine Biosciences, Inc. (US) 2023-04-26 EP claimed
CN-115850216-A Stable isotope labeled 2, 5-furandicarboxylic acid-2- 13 Method for synthesizing COOH 上海化工研究院有限公司 2023-03-28 CN claimed
EP-4146624-A1 NON-LYSOSOMAL GLUCOSYLCERAMIDASE INHIBITORS AND USES THEREOF Alectos Therapeutics Inc. (CA) 2023-03-15 EP claimed
EP-4146623-A1 NON-LYSOSOMAL GLUCOSYLCERAMIDASE INHIBITORS AND USES THEREOF Alectos Therapeutics Inc. (CA) 2023-03-15 EP claimed
US-20220213058-A1 NON-LYSOSOMAL GLUCOSYLCERAMIDASE INHIBITORS AND USES THEREOF ALECTOS THERAPEUTICS INC. (CA) 2022-07-07 US claimed
WO-2021224864-A1 NON-LYSOSOMAL GLUCOSYLCERAMIDASE INHIBITORS AND USES THEREOF ALECTOS THERAPEUTICS INC. (CA) 2021-11-11 WO claimed
WO-2021224865-A1 NON-LYSOSOMAL GLUCOSYLCERAMIDASE INHIBITORS AND USES THEREOF ALECTOS THERAPEUTICS INC. (CA) 2021-11-11 WO claimed
WO-2020229968-A1 NON-LYSOSOMAL GLUCOSYLCERAMIDASE INHIBITORS AND USES THEREOF ALECTOS THERAPEUTICS INC. (CA) 2020-11-19 WO claimed
EP-1453792-A1 AMINE 1,2- AND 1,3-DIOL COMPOUNDS AND THEIR USE FOR TREATMENT OF ALZHEIMER'S DISEASE Elan Pharmaceuticals, Inc. (US) 2004-09-08 EP claimed
EP-1448200-A2 (4-PHENYL)PIPERIDIN-3-YL-PHENYLCARBOXYLATE DERIVATIVES AND RELATED COMPOUNDS AS BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE Elan Pharmaceuticals, Inc. (US) 2004-08-25 EP claimed
US-20040039064-A1 Amine 1,2- and 1,3-diol compounds PHARMACIA & UPJOHN COMPANY LLC 2004-02-26 US claimed
US-20040034031-A1 3,4-Disubstituted, 3,5-disubstituted and 3,4,5-substituted piperidines ELAN PHARMACEUTICALS, INC. 2004-02-19 US claimed
WO-2003064376-A1 SUBSTITUTED METHYLENE AMIDE DERIVATIVES AS MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPS) APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2003-08-07 WO claimed
WO-2003043975-A1 AMINE 1,2- AND 1,3-DIOL COMPOUNDS AND THEIR USE FOR TREATMENT OF ALZHEIMER'S DISEASE ELAN PHARMACEUTICALS, INC. (US) 2003-05-30 WO claimed
WO-2003043987-A2 (4-PHENYL) PIPERIDIN-3-YL-PHENYLCARBOXYLATE DERIVATIVES AND RELATED COMPOUNDS AS BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE ELAN PHARMACEUTICALS, INC. (US) 2003-05-30 WO claimed
US-5416101-A FUNGICIDES ROHM AND HAAS COMPANY (US) 1995-05-16 US claimed
EP-0606748-A1 Cyanosulfonylethyltriazoles and their use as fungicides ROHM AND HAAS COMPANY (US) 1994-07-20 EP claimed
US-5308860-A Fungicides ROHM AND HAAS COMPANY (US) 1994-05-03 US claimed

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-20230348387-A1 NON-LYSOSOMAL GLUCOSYLCERAMIDASE INHIBITORS AND USES THEREOF GBA1, GBA2, GAA TAAR1 4166/4885IDO1 2392/4885MAOB 1282/4885
US-20040039064-A1 Amine 1,2- and 1,3-diol compounds BACE1, BACE2, APP TAAR1 196/4885IDO1 1096/4885MAOB 246/4885
US-20040034031-A1 3,4-Disubstituted, 3,5-disubstituted and 3,4,5-substituted piperidines BACE1, APP, BACE2 TAAR1 330/4885IDO1 579/4885MAOB 450/4885
US-20220213058-A1 NON-LYSOSOMAL GLUCOSYLCERAMIDASE INHIBITORS AND USES THEREOF GBA1, GBA2, GAA TAAR1 4166/4885IDO1 2392/4885MAOB 1282/4885
US-20230174486-A1 NON-LYSOSOMAL GLUCOSYLCERAMIDASE INHIBITORS AND USES THEREOF GBA1, GBA2, GAA TAAR1 4166/4885IDO1 2392/4885MAOB 1282/4885

“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.