SCHEMBL6017188

SCHEMBL6017188

COCCc1nc(-c2ccc(C(F)(F)F)cc2)ncc1CO

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV3 Q8NET8 11/20 0.47
DYRK3 O43781 1/20 0.38
CCNA2 P20248 1/20 0.38
CDK2 P24941 1/20 0.38
DYRK1A Q13627 1/20 0.38
DYRK2 Q92630 1/20 0.38
DYRK1B Q9Y463 1/20 0.38
AGTR1 P30556 1/20 0.37
AGTR2 P50052 1/20 0.37
HDAC4 P56524 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
SIRT2 Q8IXJ6 1/20 0.36
TP53 P04637 1/20 0.36
MAPT P10636 1/20 0.36
KDM4E B2RXH2 1/20 0.36
HTT P42858 1/20 0.36
KMT2A Q03164 1/20 0.36
SMPD1 P17405 1/20 0.36
FOS P01100 1/20 0.36

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
SCHEMBL1549045 0.89 TRPV3 (0.43) TRPV3HDAC4HDAC6SMN1; SMN2SIRT2
SCHEMBL1550027 0.85 TRPV3 (0.42) TRPV3AGTR1AGTR2
SCHEMBL1550132 0.81 ALDH1A1 (0.46) TRPV3AGTR1AGTR2HDAC4HDAC6
SCHEMBL1549252 0.80 KCNH2 (0.43) TRPV3HDAC4HDAC6MAPTKDM4E
SCHEMBL6017152 0.79 TRPV3 (0.46) TRPV3AGTR1KMT2AFOSJUN
SCHEMBL1549572 0.78 TRPV3 (0.46) TRPV3SIRT2
SCHEMBL1550218 0.77 TRPV3 (0.44) TRPV3SIRT2
SCHEMBL6017324 0.77 FOS (0.55) SMN1; SMN2TP53MAPTKDM4EKMT2A
SCHEMBL1549714 0.77 CHRNA7 (0.40)
SCHEMBL1549740 0.76 TRPV3 (0.42) TRPV3SIRT2SMPD1FOSJUN

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-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 1119/4885DYRK3 523/4885CCNA2 3787/4885

“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.