SCHEMBL6017152

SCHEMBL6017152

Cc1nc(-c2ccc(C(F)(F)F)cc2)ncc1CO

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TRPV3 Q8NET8 14/20 0.46
KCNH2 Q12809 1/20 0.41
NPC1 O15118 2/20 0.40
LMNA P02545 1/20 0.40
THRB P10828 1/20 0.40
MEN1 O00255 1/20 0.40
AGTR1 P30556 1/20 0.40
RAB9A P51151 1/20 0.40
KMT2A Q03164 1/20 0.40
FOS P01100 1/20 0.39
JUN P05412 1/20 0.39
NFKB1 P19838 1/20 0.39
NFKB2 Q00653 1/20 0.39
RELA Q04206 1/20 0.39
ALDH1A1 P00352 1/20 0.39
GAA P10253 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
SCHEMBL1549695 0.85 KCNH2 (0.41) TRPV3KCNH2NPC1LMNATHRB
SCHEMBL1550218 0.84 TRPV3 (0.44) TRPV3
SCHEMBL3536466 0.82 TRPV3 (0.44) TRPV3NPC1RAB9AALDH1A1
SCHEMBL17596067 0.80 NOTUM (0.47) TRPV3KCNH2NPC1MEN1RAB9A
SCHEMBL5204620 0.80 LMNA (0.45) TRPV3KCNH2LMNATHRB
SCHEMBL120535 0.80 TKT (0.46) NPC1LMNAMEN1RAB9AKMT2A
SCHEMBL6017188 0.79 TRPV3 (0.47) TRPV3AGTR1KMT2AFOSJUN
SCHEMBL12538714 0.78 TRPV3 (0.50) TRPV3KCNH2LMNATHRB
SCHEMBL1550310 0.78 TRPV3 (0.43) TRPV3
SCHEMBL1549553 0.76 TRPV3 (0.47) TRPV3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100509802-C Heteroaryl deravatives as PPAR activators HOFFMANN LA ROCHE (CH) 2009-07-08 CN disclosed
CN-1878768-A heteroaryl derivatives as PPAR activators HOFFMANN LA ROCHE (CH) 2006-12-13 CN disclosed
EP-1682535-A1 HETEROARYL DERIVATIVES AS PPAR ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2006-07-26 EP disclosed
US-6995263-B2 Indolyl and dihydroindolyl derivatives, their manufacture and use as pharmaceutical agents HOFFMANN-LA ROCHE INC. (US) 2006-02-07 US disclosed
WO-2005049606-A1 HETEROARYL DERIVATIVES AS PPAR ACTIVATORS F. HOFFMANN-LA ROCHE AG (CH) 2005-06-02 WO disclosed
US-20050096353-A1 Indolyl and dihydroindolyl derivatives, their manufacture and use as pharmaceutical agents HOFFMANN-LA ROCHE INC. 2005-05-05 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 (1 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-20050096353-A1 Indolyl and dihydroindolyl derivatives, their manufacture and use as pharmaceutical agents PPARD, PPARA, PPARG TRPV3 1119/4885KCNH2 3267/4885NPC1 663/4885

“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.