SCHEMBL4909618

SCHEMBL4909618

Cc1cc(C2CC2C(F)(F)F)ccc1C(=O)Nc1ccc(C(C)(C)C)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 6/20 0.49
SMN1; SMN2 Q16637 2/20 0.47
TP53 P04637 1/20 0.47
THRB P10828 1/20 0.47
HDAC3 O15379 1/20 0.44
HDAC11 Q96DB2 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
NR1H4 Q96RI1 4/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
PPARG P37231 1/20 0.42
PPARA Q07869 1/20 0.42
DHODH Q02127 1/20 0.42
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
MAPK1 P28482 1/20 0.41
ATM Q13315 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
CYP26A1 O43174 1/20 0.41

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
SCHEMBL4909993 0.82 SMN1; SMN2 (0.52) TRPV1SMN1; SMN2TP53THRBHDAC3
SCHEMBL4907544 0.81 NPC1 (0.64) TRPV1SMN1; SMN2TP53NPC1RAB9A
SCHEMBL4899732 0.79 RAB9A (0.47) SMN1; SMN2NPC1RAB9ALMNAMAPT
SCHEMBL4899708 0.78 RAB9A (0.51) SMN1; SMN2TP53NPC1RAB9A
SCHEMBL4909828 0.77 TRPV1 (0.53) TRPV1SMN1; SMN2NPC1RAB9ALMNA
SCHEMBL4908072 0.76 RXRB (0.46) NR1H4ATM
SCHEMBL4900096 0.76 KDR (0.54) TRPV1SMN1; SMN2NPC1RAB9AMAPT
SCHEMBL4910381 0.76 KDR (0.54) TRPV1SMN1; SMN2NPC1RAB9AMAPT
SCHEMBL4904838 0.76 KDR (0.54) TRPV1SMN1; SMN2NPC1RAB9AMAPT
SCHEMBL4898810 0.76 KDR (0.54) TRPV1SMN1; SMN2NPC1RAB9AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080096919-A1 Amide derivatives as ion-channel ligands and pharmaceutical compositions and methods of using the same RENOVIS, INC. 2008-04-24 US claimed
US-20060205773-A1 Amide derivatives as ion-channel ligands and pharmaceutical compositions and methods of using the same EVOTEC AG (DE) 2006-09-14 US claimed
US-20080096919-A1 Amide derivatives as ion-channel ligands and pharmaceutical compositions and methods of using the same RENOVIS, INC. 2008-04-24 US disclosed
US-20080096919-A1 Amide derivatives as ion-channel ligands and pharmaceutical compositions and methods of using the same RENOVIS, INC. 2008-04-24 US disclosed
US-20080096919-A1 Amide derivatives as ion-channel ligands and pharmaceutical compositions and methods of using the same RENOVIS, INC. 2008-04-24 US disclosed
US-7312233-B2 Amide derivatives as ion-channel ligands and pharmaceutical compositions and methods of using the same RENOVIS, INC. (US) 2007-12-25 US disclosed
US-7312233-B2 Amide derivatives as ion-channel ligands and pharmaceutical compositions and methods of using the same RENOVIS, INC. (US) 2007-12-25 US disclosed
US-7312233-B2 Amide derivatives as ion-channel ligands and pharmaceutical compositions and methods of using the same RENOVIS, INC. (US) 2007-12-25 US disclosed
US-20060205773-A1 Amide derivatives as ion-channel ligands and pharmaceutical compositions and methods of using the same EVOTEC AG (DE) 2006-09-14 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 (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-20060205773-A1 Amide derivatives as ion-channel ligands and pharmaceutical compositions and methods of using the same TRPV1, TRPA1, TRPV2 TRPV1 1/4885SMN1; SMN2 2392/4885TP53 4006/4885
US-20080096919-A1 Amide derivatives as ion-channel ligands and pharmaceutical compositions and methods of using the same TRPV1, TRPA1, TRPV2 TRPV1 1/4885SMN1; SMN2 2392/4885TP53 4006/4885

“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.