SCHEMBL823297

SCHEMBL823297

Cc1cc(CN)cc(C(F)(F)F)c1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 3/20 0.44
GRIN2B Q13224 1/20 0.41
NOS1 P29475 2/20 0.40
NOS3 P29474 1/20 0.40
TAAR1 Q96RJ0 2/20 0.40
MAOB P27338 2/20 0.39
RAPGEF4 Q8WZA2 1/20 0.39
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38
HTR2B P41595 1/20 0.38
IDH1 O75874 1/20 0.37
LOXL2 Q9Y4K0 2/20 0.36
NOS2 P35228 1/20 0.36
TACR1 P25103 1/20 0.36
LOX P28300 1/20 0.35
DAO P14920 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
Hydrochloric Acid SCHEMBL18740973 0.98 IDO1 (0.46) IDO1GRIN2BNOS1NOS3TAAR1
SCHEMBL18266157 0.86 TACR1 (0.35) IDO1GRIN2BNOS1NOS3TAAR1
SCHEMBL14570493 0.85 IDO1 (0.43) IDO1GRIN2BNOS1NOS3TAAR1
SCHEMBL42797 0.84 IDO1 (0.58) IDO1TAAR1MAOBHTR2AHTR2C
SCHEMBL16515444 0.84 TAAR1 (0.55) IDO1GRIN2BNOS1NOS3TAAR1
SCHEMBL16767879 0.83 GRIN2B (0.44) IDO1GRIN2BNOS1NOS3TAAR1
Hydrochloric Acid SCHEMBL2898331 0.82 IDO1 (0.59) IDO1TAAR1MAOBLOXL2TACR1
SCHEMBL806121 0.81 IDO1 (0.41) IDO1GRIN2BNOS1NOS3TAAR1
SCHEMBL799008 0.81 IDO1 (0.41) IDO1GRIN2BNOS1NOS3RAPGEF4
Methane SCHEMBL4031512 0.80 IDO1 (0.57) IDO1TAAR1MAOBLOXL2TACR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240027902-A1 CHEMICALLY AMPLIFIED RESIST COMPOSITION AND PATTERNING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2024-01-25 US disclosed
US-11774853-B2 Resist composition and patterning process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2023-10-03 US disclosed
US-20230305393-A1 RESIST COMPOSITION AND PATTERN FORMING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2023-09-28 US disclosed
US-20230305394-A1 RESIST COMPOSITION AND PATTERN FORMING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2023-09-28 US disclosed
US-20230183488-A1 METHOD OF MANIPULATING HYDROPHILICITY AND HYDROPHOBICITY OF CONVENTIONAL DYE MOLECULES FOR TRACER APPLICATIONS SAUDI ARABIAN OIL COMPANY (SA) 2023-06-15 US disclosed
US-20230161252-A1 POSITIVE RESIST COMPOSITION AND PATTERN FORMING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2023-05-25 US disclosed
US-20220153733-A1 SUBSTITUTED TETRAHYDROPYRANS AS CCR2 MODULATORS CHEMOCENTRYX, INC. 2022-05-19 US disclosed
US-20200121688-A1 SUBSTITUTED TETRAHYDROPYRANS AS CCR2 MODULATORS CHEMOCENTRYX, INC. 2020-04-23 US disclosed
US-10464934-B2 Substituted tetrahydropyrans as CCR2 modulators CHEMOCENTRYX, INC. (US) 2019-11-05 US disclosed
US-9958776-B2 Resist composition and patterning process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2018-05-01 US disclosed
US-8791264-B2 Benzenesulfonamide compounds and their use as blockers of calcium channels PURDUE PHARMA L.P. (US) 2014-07-29 US disclosed
US-20130183621-A1 PATTERN FORMING PROCESS AND RESIST COMPOSTION SHIN-ETSU CHEMICAL CO., LTD. (JP) 2013-07-18 US disclosed
US-RE43274-E1 Fluorinated photosensitizers related to chlorins and bacteriochlorins for photodynamic therapy HEALTH RESEARCH, INC. (US) 2012-03-27 US disclosed
US-20100022595-A1 Benzenesulfonamide Compounds and Their Use as Blockers of Calcium Channels PURDUE PHARMA L.P. (CT) 2010-01-28 US disclosed
EP-1517684-B1 FLUORINATED CHLORIN AND BACTERIOCHLORIN PHOTOSENSITIZERS FOR PHOTODYNAMIC THERAPY HEALTH RESEARCH INC (US) 2009-07-22 EP disclosed
WO-2008063670-A1 HETEROBICYCLIC MATRIX METALLOPROTEASE INHIBITORS ALANTOS PHARMACEUTICALS HOLDING, INC. (US) 2008-05-29 WO disclosed
EP-1790636-A1 PIPERIDINE DERIVATIVES AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2007-05-30 EP disclosed
US-20060142337-A1 Piperidine derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-06-29 US disclosed
CN-1152006-C Biphenyl derivatives - 2004-06-02 CN disclosed
CN-1343197-A Biphenyl derivatives as neurokinin-1 receptor antagonists HOFFMANN LA ROCHE (CH) 2002-04-03 CN 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-10464934-B2 Substituted tetrahydropyrans as CCR2 modulators CCR2, CCR1, CCR5 IDO1 647/4885GRIN2B 494/4885NOS1 2713/4885
US-20100022595-A1 Benzenesulfonamide Compounds and Their Use as Blockers of Calcium Channels CACNA1A, CACNA1E, CACNA1B IDO1 2630/4885GRIN2B 613/4885NOS1 2574/4885
US-20060142337-A1 Piperidine derivative and use thereof AR, AHR, ARNT IDO1 209/4885GRIN2B 1788/4885NOS1 1992/4885
US-20200121688-A1 SUBSTITUTED TETRAHYDROPYRANS AS CCR2 MODULATORS CCR2, CCR1, CCR5 IDO1 647/4885GRIN2B 494/4885NOS1 2713/4885
US-20220153733-A1 SUBSTITUTED TETRAHYDROPYRANS AS CCR2 MODULATORS CCR2, CCR1, CCR5 IDO1 199/4885GRIN2B 611/4885NOS1 1956/4885

“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.