SCHEMBL10272802

SCHEMBL10272802

CCc1cnc(C(F)(F)F)cn1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 1/20 0.39
GPBAR1 Q8TDU6 1/20 0.31
NR1H2 P55055 1/20 0.31
NR1H3 Q13133 1/20 0.31
PSEN1 P49768 1/20 0.30
PSEN2 P49810 1/20 0.30
APH1B Q8WW43 1/20 0.30
NCSTN Q92542 1/20 0.30
APH1A Q96BI3 1/20 0.30
PSENEN Q9NZ42 1/20 0.30
RXRA P19793 1/20 0.30
GRIN1 Q05586 1/20 0.30
GRIN2B Q13224 1/20 0.30
KCNH2 Q12809 1/20 0.30

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
SCHEMBL14947798 0.83 TRPV4 (0.36) TRPV4PSEN1PSEN2APH1BNCSTN
SCHEMBL10092877 0.80
SCHEMBL24468267 0.79 TRPV4 (0.33) TRPV4
SCHEMBL17495322 0.79 KCNH2 (0.39) TRPV4KCNH2
SCHEMBL30329152 0.78 TRPV4 (0.39) TRPV4
SCHEMBL15110954 0.78 TRPV4 (0.39) TRPV4
SCHEMBL7995882 0.78 TRPV4 (0.39) TRPV4
SCHEMBL27315811 0.78 TRPV4 (0.39) TRPV4
SCHEMBL24635124 0.78 LOXL2 (0.41) TRPV4
SCHEMBL830188 0.78 NOS3 (0.33)

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230331676-A1 NAPHTHYLUREA COMPOUND, METHODS OF PREPARATION AND USE THEREOF HENAN RADIOMEDICAL SCIENCE AND TECHNOLOGY CO., LTD. (CN) 2023-10-19 US disclosed
US-20230331676-A1 NAPHTHYLUREA COMPOUND, METHODS OF PREPARATION AND USE THEREOF HENAN RADIOMEDICAL SCIENCE AND TECHNOLOGY CO., LTD. (CN) 2023-10-19 US disclosed
US-20230312522-A1 CYP46A1 INHIBITORS AND METHODS OF USE THEREOF SAGE THERAPEUTICS, INC. 2023-10-05 US disclosed
WO-2023171783-A1 PYRAZOLE COMPOUND, AND NOXIOUS ORGANISM CONTROL AGENT CONTAINING SAME AS ACTIVE INGREDIENT 三井化学アグロ株式会社 2023-09-14 WO disclosed
WO-2023147418-A1 PARP7 INHIBITORS GILEAD SCIENCES, INC. (US) 2023-08-03 WO disclosed
WO-2023107630-A2 AMINO ALCOHOL COMPOUNDS AND USES THEREOF Kineta, Inc. (US) 2023-06-15 WO disclosed
WO-2023076983-A1 PYRIDIZIN-3(2H)-ONE DERIVATIVES GILEAD SCIENCES, INC. (US) 2023-05-04 WO disclosed
WO-2023064343-A1 SMALL MOLECULE MODULATORS OF GLUCOCEREBROSIDASE ACTIVITY AND USES THEREOF VANQUA BIO, INC. (US) 2023-04-20 WO disclosed
WO-2023064345-A1 SMALL MOLECULE MODULATORS OF GLUCOCEREBROSIDASE ACTIVITY AND USES THEREOF VANQUA BIO, INC. (US) 2023-04-20 WO disclosed
EP-3592741-B1 NOVEL IMIDAZO[4,5-C]QUINOLINE DERIVATIVES AS LRRK2 INHIBITORS PFIZER (US) 2023-02-15 EP disclosed
EP-3256463-B1 1-(HET)ARYLSULFONYL-(PYRROLIDINE OR PIPERIDINE)-2-CARBOXAMIDE DERIVATIVES AND THEIR USE AS TRPA1 ANTAGONISTS HOFFMANN LA ROCHE (CH) 2019-10-09 EP disclosed
EP-2794593-B1 SPIRO AMINIC COMPOUNDS AS OREXIN ANTAGONISTS Rottapharm Biotech Srl (IT) 2017-02-01 EP disclosed
WO-2015052264-A1 SUBSTITUTED HETEROCYCLIC SULFONAMIDE COMPOUNDS USEFUL AS TRPA1 MODULATORS F. HOFFMANN-LA ROCHE AG (CH) 2015-04-16 WO disclosed
US-20120035189-A1 Quinuclidine Compounds as Alpha-7 Nicotinic Acetylcholine Receptor Ligands BRISTOL-MYERS SQUIBB COMPANY 2012-02-09 US 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-20120035189-A1 Quinuclidine Compounds as Alpha-7 Nicotinic Acetylcholine Receptor Ligands CHRNA7, CHRNA5, CHRNA6 TRPV4 1317/4885GPBAR1 337/4885NR1H2 450/4885
US-20230331676-A1 NAPHTHYLUREA COMPOUND, METHODS OF PREPARATION AND USE THEREOF NPM1, NCL, NOC2L TRPV4 4710/4885GPBAR1 3308/4885NR1H2 777/4885
US-20230312522-A1 CYP46A1 INHIBITORS AND METHODS OF USE THEREOF CYP46A1, CYP26A1, CYP4A22 TRPV4 4757/4885GPBAR1 513/4885NR1H2 143/4885

“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.