SCHEMBL1687449

SCHEMBL1687449

CCc1ccc(-c2ccc(C(F)(F)F)cc2)cc1

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.57
KIF11 P52732 10/20 0.54
TAAR1 Q96RJ0 1/20 0.48
IDO1 P14902 2/20 0.47
CHKA P35790 1/20 0.46
HEXA P06865 1/20 0.45
HEXB P07686 1/20 0.45
FDFT1 P37268 1/20 0.44
AGXT P21549 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
SCHEMBL8990814 0.94 MAOB (0.61) MAOBKIF11TAAR1CHKAFDFT1
SCHEMBL91061 0.93 TAAR1 (0.54) MAOBKIF11TAAR1IDO1
Ammonia Solution, Strong SCHEMBL266277 0.91 TAAR1 (0.52) MAOBKIF11TAAR1IDO1
SCHEMBL31277159 0.86 SRD5A2 (0.50) MAOBKIF11TAAR1IDO1
SCHEMBL19010903 0.86 TP53 (0.47) MAOBKIF11TAAR1IDO1HEXA
SCHEMBL13197394 0.85 RXRA (0.59) MAOBKIF11
SCHEMBL19301067 0.85 KIF11 (0.52) MAOBKIF11HEXAHEXBAGXT
SCHEMBL24594088 0.84 MAOB (0.41) MAOBKIF11TAAR1FDFT1
SCHEMBL9074271 0.84 MAOB (0.41) MAOBKIF11TAAR1
SCHEMBL29124537 0.84 TAAR1 (0.47) MAOBKIF11TAAR1IDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230340026-A1 COMPOUNDS NEW PHARMA LICENCE HOLDINGS LTD (MT) 2023-10-26 US disclosed
US-20230302162-A1 RADIOLABELED DARAPLADIB AND ANALOGS THEREOF AND THEIR USE AS IMAGING COMPOUNDS INSERM (INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE) (FR) 2023-09-28 US disclosed
US-11384060-B2 Amide compounds and use thereof ALPHALA CO., LTD. (TW) 2022-07-12 US disclosed
EP-3452464-B1 PYRAZOLE DERIVATIVES, COMPOSITIONS AND THERAPEUTIC USE THEREOF HOFFMANN LA ROCHE (CH) 2021-12-15 EP disclosed
US-20190337915-A1 AMIDE COMPOUNDS AND USE THEREOF ALPHALA CO., LTD. (TW) 2019-11-07 US disclosed
US-10308653-B2 Diazepane derivatives and uses thereof DANA-FARBER CANCER INSTITUTE, INC. (US) 2019-06-04 US disclosed
US-9951074-B2 Dihydropteridinone derivatives and uses thereof DANA-FARBER CANCER INSTITUTE, INC. (US) 2018-04-24 US disclosed
US-20180030092-A1 COMPOUNDS SPERO THERAPEUTICS, INC. 2018-02-01 US disclosed
WO-2018010476-A1 GLYCOPEPTIDES BASED DERIVATIVE, PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, PREPARATION METHOD THEREFOR AND USE THEREOF 上海来益生物药物研究开发中心有限责任公司 2018-01-18 WO disclosed
WO-2018010475-A1 GLYCOPEPTIDE DERIVATIVE, PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF 上海来益生物药物研究开发中心有限责任公司 2018-01-18 WO disclosed
US-20090075989-A1 NON-STEROIDAL PROGESTERONE RECEPTOR MODULATORS BAYER SCHERING PHARMA AG (DE) 2009-03-19 US disclosed
EP-1678185-B1 2,3-DIHYDRO-6-NITROIMIDAZO [2,1-B] OXAZOLE COMPOUNDS FOR THE TREATMENT OF TUBERCULOSIS OTSUKA PHARMA CO LTD (JP) 2008-10-08 EP disclosed
WO-2008116156-A2 METHODS AND COMPOSITIONS FOR TREATING DISEASES AND CONDITIONS ASSOCIATED WITH MITOCHONDRIAL FUNCTION THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2008-09-25 WO disclosed
US-20080119478-A1 2,3-Dihydro-6-Nitroimidazo (2,1-b) Oxazole Compounds for the Treatment of Tuberculosis OTSUKA PHAMACEUTICAL CO., LTD. (JP) 2008-05-22 US disclosed
US-20080119478-A1 2,3-Dihydro-6-Nitroimidazo (2,1-b) Oxazole Compounds for the Treatment of Tuberculosis OTSUKA PHAMACEUTICAL CO., LTD. (JP) 2008-05-22 US disclosed
US-20070117797-A1 Alkylamino, arylamino, and sulfonamido cyclopentyl amide modulators of chemokine receptor activity MERCK SHARP & DOHME CORP. 2007-05-24 US disclosed
WO-2007053193-A2 UNSOLVATED BENZODIAZEPINE COMPOSITIONS AND METHODS THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2007-05-10 WO disclosed
WO-2007053725-A2 NOVEL 1,4-BENZODIAZEPINE-2,5-DIONES WITH THERAPEUTIC PROPERTIES THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2007-05-10 WO disclosed
US-5292454-A Trifluorotoluene compounds, and a liquid crystalline medium MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1994-03-08 US disclosed
WO-1990014404-A1 TRIFLUOROTOLUOL COMPOUNDS AND LIQUID CRYSTALLINE MEDIUM MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 1990-11-29 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 (9 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-20070117797-A1 Alkylamino, arylamino, and sulfonamido cyclopentyl amide modulators of chemokine receptor activity CCR7, ACKR3, CCR2 MAOB 2710/4885KIF11 3750/4885TAAR1 195/4885
US-10308653-B2 Diazepane derivatives and uses thereof BRDT, BRD4, BAZ2A MAOB 1080/4885KIF11 3507/4885TAAR1 2334/4885
US-20090075989-A1 NON-STEROIDAL PROGESTERONE RECEPTOR MODULATORS NR5A1, CYP19A1, GPER1 MAOB 1894/4885KIF11 3486/4885TAAR1 684/4885
US-20080119478-A1 2,3-Dihydro-6-Nitroimidazo (2,1-b) Oxazole Compounds for the Treatment of Tuberculosis NR2C2, NR0B2, NR4A2 MAOB 1654/4885KIF11 3992/4885TAAR1 163/4885
US-20190337915-A1 AMIDE COMPOUNDS AND USE THEREOF GLP1R, IAPP, GPR119 MAOB 2177/4885KIF11 3970/4885TAAR1 960/4885
US-20230340026-A1 COMPOUNDS BCAT1, BCAT2, CCNT1 MAOB 440/4885KIF11 3353/4885TAAR1 823/4885
US-20180030092-A1 COMPOUNDS BCAT1, BCAT2, IL4I1 MAOB 512/4885KIF11 3122/4885TAAR1 886/4885
US-11384060-B2 Amide compounds and use thereof GLP1R, IAPP, GPR119 MAOB 2177/4885KIF11 3970/4885TAAR1 960/4885
US-20230302162-A1 RADIOLABELED DARAPLADIB AND ANALOGS THEREOF AND THEIR USE AS IMAGING COMPOUNDS PLA2G4B, PLA2G1B, PLA2G12B MAOB 1032/4885KIF11 4787/4885TAAR1 872/4885

“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.