SCHEMBL3963929

SCHEMBL3963929

CC(=O)Cc1ccc(C(F)(F)F)nc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 1/20 0.44
DAO P14920 3/20 0.43
TKT P29401 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP3A5 P20815 1/20 0.42
PPARD Q03181 1/20 0.42
KCNQ3 O43525 1/20 0.41
KCNQ2 O43526 1/20 0.41
KCNQ4 P56696 1/20 0.41
KCNQ5 Q9NR82 1/20 0.41
MRGPRX4 Q96LA9 1/20 0.41
KCNH2 Q12809 2/20 0.40
CYP2C19 P33261 1/20 0.40
GRIA2 P42262 1/20 0.40
TRPV1 Q8NER1 1/20 0.40
NAMPT P43490 1/20 0.39
PLAAT3 P53816 1/20 0.39
PLAAT5 Q96KN8 1/20 0.39
PLAAT2 Q9NWW9 1/20 0.39
PLAAT4 Q9UL19 1/20 0.39

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
SCHEMBL30025563 0.84 GABRP (0.56) TRPV4DAOPPARDMRGPRX4PLAAT3
SCHEMBL263863 0.84 GABRP (0.56) TRPV4DAOPPARDMRGPRX4PLAAT3
SCHEMBL12479488 0.84 TRPV4 (0.46) TRPV4DAOTKTCYP3A4CYP3A5
SCHEMBL12091528 0.84 CCR9 (0.42) PPARDCYP2C19TRPV1GABRPGABRD
SCHEMBL15087614 0.83 DAO (0.48) TRPV4DAOTKTCYP3A4CYP3A5
SCHEMBL17634090 0.83 PPARD (0.43) TRPV4DAOTKTCYP3A4CYP3A5
SCHEMBL2310832 0.83 MAOB (0.46) TRPV4DAOKCNQ3KCNQ2KCNQ4
SCHEMBL30394818 0.83 MAOB (0.46) TRPV4DAOKCNQ3KCNQ2KCNQ4
SCHEMBL24973127 0.82 CYP2C9 (0.43) TRPV4DAOTKTCYP3A4CYP3A5
SCHEMBL28093133 0.82 LMNA (0.49) TRPV4DAOCYP3A4CYP3A5PPARD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3784669-B1 PTERIDINONE COMPOUNDS AND USES THEREOF VERTEX PHARMA (US) 2023-10-25 EP disclosed
US-11737463-B2 Pyridine and pyrazine compounds BASF SE (DE) 2023-08-29 US disclosed
US-20110071289-A1 AMINOPYRAZOLE AMIDE DERIVATIVE DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2011-03-24 US disclosed
WO-2009035855-A2 NOVEL USES OF HALOGENATED ALKYL SULFONAMIDES H. LUNDBECK A/S (DK) 2009-03-19 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-11737463-B2 Pyridine and pyrazine compounds NDUFS5, IL5, NDUFS4 TRPV4 1760/4885DAO 2627/4885TKT 952/4885
US-20110071289-A1 AMINOPYRAZOLE AMIDE DERIVATIVE ARGLU1, ARG1, CNKSR1 TRPV4 4792/4885DAO 414/4885TKT 3840/4885

“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.