SCHEMBL111452

SCHEMBL111452

NCc1cccc(OC(F)(F)F)c1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 1/20 0.52
CETP P11597 3/20 0.51
CHRM2 P08172 1/20 0.50
CHRM1 P11229 1/20 0.50
CHRM3 P20309 1/20 0.50
DAO P14920 1/20 0.49
KIF11 P52732 1/20 0.48
MPO P05164 1/20 0.46
GRIN2B Q13224 1/20 0.46
MAPK14 Q16539 1/20 0.46
EPHX1 P07099 1/20 0.45
TRPM8 Q7Z2W7 1/20 0.44
MAOB P27338 1/20 0.44
PNMT P11086 1/20 0.44
ENPP2 Q13822 1/20 0.44

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
SCHEMBL29786543 1.00 HTR2C (0.52) HTR2CCETPCHRM2CHRM1CHRM3
Hydrochloric Acid SCHEMBL2714307 0.98 HTR2C (0.51) HTR2CCETPCHRM2CHRM1CHRM3
SCHEMBL921003 0.93 CETP (0.50) HTR2CCETPCHRM2CHRM1CHRM3
SCHEMBL3722118 0.90 HTR2C (0.48) HTR2CCETPCHRM2CHRM1CHRM3
SCHEMBL921230 0.88 HTR2C (0.53) HTR2CCETPGRIN2BMAPK14MAOB
SCHEMBL18266306 0.87 MAOB (0.46) HTR2CCETPCHRM2CHRM1CHRM3
SCHEMBL30580174 0.85 CETP (0.49) CETPCHRM2CHRM1CHRM3DAO
SCHEMBL2090712 0.85 MAOB (0.42) HTR2CCETPCHRM2CHRM1CHRM3
SCHEMBL1095907 0.85 TAAR1 (0.61) CETPCHRM2CHRM1CHRM3DAO
SCHEMBL23655963 0.84 MAOB (0.56) HTR2CCETPMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115785889-B Polyurethane adhesive for single-sided adhesive shoes and preparation method thereof 福建华夏蓝新材料科技有限公司 2024-07-05 CN claimed
US-20240115553-A1 COMPOSITIONS AND METHODS FOR TREATING BRAIN INJURY AZEVAN PHARMACEUTICALS, INC. (US) 2024-04-11 US claimed
CN-115996927-A Pyrimido [5,4-d ] pyrimidine derivatives and combinations with adenosine receptor antagonists as ENT inhibitors for the treatment of cancer ITEOS比利时公司 2023-04-21 CN claimed
CN-115785889-A Polyurethane adhesive for single-sided sizing shoes and preparation method thereof 福建华夏蓝新材料科技有限公司 2023-03-14 CN claimed
US-11319306-B2 Compositions and methods for treating neurodegenerative diseases AZEVAN PHARMACEUTICALS, INC. (US) 2022-05-03 US claimed
EP-1831206-B1 N-SUBSTITUTED BENZIMIDAZOLYL C-KIT INHIBITORS AND COMBINATORIAL BENZIMIDAZOLE LIBRARY OSI PHARM INC (US) 2011-08-24 EP claimed
EP-2035375-B1 1,3-DISUBSTITUTED 4-METHYL-1H-PYRROLE-2-CARBOXAMIDES AND THEIR USE FOR THE MANUFACTURE OF MEDICAMENTS GRUENENTHAL GMBH (DE) 2011-01-19 EP claimed
EP-1610779-B1 3-OXO-1,3-DIHYDRO-INDAZOLE-2-CARBOXYLIC ACID AMIDE DERIVATIVES AS PHOSPHOLIPASE INHIBITORS LILLY CO ELI (US) 2009-09-09 EP claimed
JP-2008521903-A 2008-06-26 JP claimed
EP-1869019-A1 BICYCLIC [3.1.0] HETEROARYL AMIDES AS TYPE I GLYCINE TRANSPORT INHIBITORS Pfizer Products Incorporated (US) 2007-12-26 EP claimed
EP-1831206-A2 N-SUBSTITUTED BENZIMIDAZOLYL C-KIT INHIBITORS AND COMBINATORIAL BENZIMIDAZOLE LIBRARY OSI Pharmaceuticals, Inc. (US) 2007-09-12 EP claimed
EP-1732534-A1 USE OF METHYLENE AMIDE DERIVATIVES IN CARDIOVASCULAR DISORDERS Applied Research Systems ARS Holding N.V. (AN) 2006-12-20 EP claimed
WO-2006106425-A1 BICYCLIC [3.1.0] HETEROARYL AMIDES AS TYPE I GLYCINE TRANSPORT INHIBITORS PFIZER PRODUCTS INC. (US) 2006-10-12 WO claimed
WO-2006060381-A2 N-SUBSTITUTED BENZIMIDAZOLYL C-KIT INHIBITORS AND COMBINATORIAL BENZIMIDAZOLE LIBRARY OSI PHARMACEUTICALS, INC. (US) 2006-06-08 WO claimed
US-20060116402-A1 N-substituted benzimidazolyl c-Kit inhibitors and combinatorial benzimidazole library OSI PHARMACEUTICALS, INC. 2006-06-01 US claimed
WO-2005082347-A1 USE OF METHYLENE AMIDE DERIVATIVES IN CARDIOVASCULAR DISORDERS APLLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2005-09-09 WO claimed
EP-4105216-B1 DIHYDRONAPHTHYRIDINONE COMPOUND, AND PREPARATION METHOD THEREFOR AND MEDICAL USE THEREOF GENFLEET THERAPEUTICS SHANGHAI INC (CN) 2026-05-20 EP disclosed
EP-4682148-A2 APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE AND AUTOIMMUNE DISEASES AbbVie Ireland Unlimited Company (IE) 2026-01-21 EP disclosed
EP-0636124-A1 3,4-DIHYDRO-2H-1,2,4-BENZOTHIADIAZINE-1,1-DIOXIDE-3-CARBOXYLIC ACID DERIVATIVES, PREPARATION THEREOF AND DRUGS CONTAINING SAME Aventis Pharma S.A. (FR) 1995-02-01 EP disclosed
WO-1993021170-A1 3,4-DIHYDRO-2H-1,2,4-BENZOTHIADIAZINE-1,1-DIOXIDE-3-CARBOXYLIC ACID DERIVATIVES, PREPARATION THEREOF AND DRUGS CONTAINING SAME RHONE-POULENC RORER S.A. (FR) 1993-10-28 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 (3 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-20240115553-A1 COMPOSITIONS AND METHODS FOR TREATING BRAIN INJURY FABP7, PYGB, CHAT HTR2C 2209/4885CETP 755/4885CHRM2 2037/4885
US-11319306-B2 Compositions and methods for treating neurodegenerative diseases HTT, AVPR2, AVPR1B HTR2C 94/4885CETP 1552/4885CHRM2 338/4885
US-20060116402-A1 N-substituted benzimidazolyl c-Kit inhibitors and combinatorial benzimidazole library KIT, CHUK, TNNI3K HTR2C 3698/4885CETP 2743/4885CHRM2 4580/4885

“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.