SCHEMBL441642

SCHEMBL441642

NCCc1cc(F)ccc1F

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 5/20 0.54
HTR2A P28223 2/20 0.52
MPO P05164 1/20 0.52
TRPM8 Q7Z2W7 1/20 0.52
KMT2A Q03164 3/20 0.50
HTR1A P08908 1/20 0.50
DPP4 P27487 1/20 0.44
MAOB P27338 1/20 0.43
MEN1 O00255 2/20 0.43
RAD52 P43351 2/20 0.43
RECQL P46063 2/20 0.43
TDP1 Q9NUW8 2/20 0.43
GAPDH P04406 1/20 0.43
THRB P10828 1/20 0.43
APEX1 P27695 1/20 0.43
BLM P54132 1/20 0.43
IDO1 P14902 3/20 0.42
AGXT P21549 2/20 0.42
PSEN1 P49768 1/20 0.42
PSEN2 P49810 1/20 0.42

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 SCHEMBL2212433 0.98 KMT2A (0.53) TAAR1HTR2AMPOTRPM8KMT2A
SCHEMBL7700255 0.87 CA3 (0.46) TAAR1HTR2AMPOTRPM8KMT2A
SCHEMBL25143184 0.85 MPO (0.56) TAAR1HTR2AMPOTRPM8DPP4
SCHEMBL109496 0.83 MPO (0.47) TAAR1HTR2AMPOTRPM8KMT2A
SCHEMBL29532410 0.83 MPO (0.47) TAAR1HTR2AMPOTRPM8KMT2A
SCHEMBL29431834 0.81 IDO1 (0.57) TAAR1HTR2AMPOTRPM8KMT2A
SCHEMBL1116576 0.81 IDO1 (0.57) TAAR1HTR2AMPOTRPM8KMT2A
SCHEMBL535214 0.80 TAAR1 (0.52) TAAR1HTR2AMPOTRPM8KMT2A
SCHEMBL31504506 0.80 TAAR1 (0.52) TAAR1HTR2AMPOTRPM8KMT2A
SCHEMBL30814757 0.80 TAAR1 (0.52) TAAR1HTR2AMPOTRPM8KMT2A

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
CN-101410366-A Substituted bicyclic ring derivatives and uses thereof ASAHI KASEI PHARMA CORP (JP) 2009-04-15 CN claimed
US-5908960-A Compounds SMITHKLINE BEECHAM CORPORATION (US) 1999-06-01 US claimed
CN-120136863-A Adrenergic receptor ADRAC2 antagonists 拜耳公司 2025-06-13 CN disclosed
CN-120025328-A Adrenergic receptor ADRAC2 antagonists 拜耳公司 2025-05-23 CN disclosed
CN-120025327-A Adrenergic receptor ADRAC2 antagonists 拜耳公司 2025-05-23 CN disclosed
WO-2025089147-A1 HERBICIDAL COMPOSITION 株式会社エス・ディー・エス バイオテック 2025-05-01 WO disclosed
CN-114929694-B Adrenergic receptor ADRAC2 antagonists 拜耳公司 2025-02-07 CN disclosed
WO-2023210623-A1 HALOALKYL SULFONE ANILIDE COMPOUND AND HERBICIDE CONTAINING SAME 株式会社エス・ディー・エス バイオテック 2023-11-02 WO disclosed
CN-116057057-A Conjugates of alpha 2-adrenoceptor subtype C (alpha-2C) antagonists and TASK1/3 channel blockers for the treatment of sleep apnea 拜耳公司 2023-05-02 CN disclosed
CN-114929694-A Adrenergic receptor ADRAC2 antagonists 拜耳公司 2022-08-19 CN disclosed
US-20220235055-A1 5-(2,5-DIFLUOROPHENYL)PYRROLIDIN-1-YL)-3-(1H-PYRAZOL-1-YL)PYRAZOLO [1,5-A]PYRIMIDINE DERIVATIVES AND RELATED COMPOUNDS AS TRK KINASE INHIBITORS FOR TREATING CANCER PYRAMID BIOSCIENCES, INC. 2022-07-28 US disclosed
US-20030013715-A1 Metabotropic glutamate receptor antagonists and their use for treating central nervous system diseases NPS PHARMACEUTICALS, INC. 2003-01-16 US disclosed
US-6429207-B1 QUINOXALINE DERIVATIVES EXHIBITING A HIGH DEGREE OF POTENCY AND SELECTIVITY FOR INDIVIDUAL METABOTROPIC GLUTAMATE RECEPTORS (MGLUR) NPS PHARMACEUTICALS, INC. 2002-08-06 US disclosed
EP-1196397-A1 METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS AND THEIR USE FOR TREATING CENTRAL NERVOUS SYSTEM DISEASES NPS PHARMACEUTICALS, INC. (US) 2002-04-17 EP disclosed
EP-0900207-B1 PYRAZINONE THROMBIN INHIBITORS MERCK & CO INC (US) 2001-11-21 EP disclosed
WO-2000073283-A1 METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS AND THEIR USE FOR TREATING CENTRAL NERVOUS SYSTEM DISEASES NPS PHARMACEUTICALS, INC. (US) 2000-12-07 WO disclosed
US-5908960-A Compounds SMITHKLINE BEECHAM CORPORATION (US) 1999-06-01 US disclosed
EP-0900207-A1 PYRAZINONE THROMBIN INHIBITORS Merck & Co., Inc. (US) 1999-03-10 EP disclosed
US-5866573-A Pyrazinone thrombin inhibitors MERCK & CO., INC. (US) 1999-02-02 US disclosed
WO-1997040024-A1 PYRAZINONE THROMBIN INHIBITORS MERCK & CO., INC. (US) 1997-10-30 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-20220235055-A1 5-(2,5-DIFLUOROPHENYL)PYRROLIDIN-1-YL)-3-(1H-PYRAZOL-1-YL)PYRAZOLO [1,5-A]PYRIMIDINE DERIVATIVES AND RELATED COMPOUNDS AS TRK KINASE INHIBITORS FOR TREATING CANCER TPX2, FRK, PDXK TAAR1 2567/4885HTR2A 3343/4885MPO 4764/4885
US-20030013715-A1 Metabotropic glutamate receptor antagonists and their use for treating central nervous system diseases GRM2, GRM1, GRM3 TAAR1 138/4885HTR2A 204/4885MPO 2426/4885

“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.