SCHEMBL5308189

SCHEMBL5308189

CCOc1cc(C(=O)Nc2cccc3cnccc23)ccc1C#CC(C)(C)C

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 9/20 0.52
CNR1 P21554 1/20 0.47
LMNA P02545 3/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
NPC1 O15118 2/20 0.45
RAB9A P51151 1/20 0.45
POLB P06746 1/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
KDM4E B2RXH2 2/20 0.45
MAPT P10636 2/20 0.45
ALDH1A1 P00352 1/20 0.45
THRB P10828 1/20 0.45
AHR P35869 1/20 0.43
GALK1 P51570 1/20 0.42
ATM Q13315 1/20 0.42
MAPK1 P28482 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
SCHEMBL5909162 0.84 MAPT (0.49) TRPV1CNR1MAPT
SCHEMBL13763268 0.84 TRPV1 (0.56) TRPV1CNR1LMNACYP1A2CYP3A4
SCHEMBL5909490 0.80 TRPV1 (0.59) TRPV1CNR1MEN1KMT2AKDM4E
SCHEMBL5909471 0.79 TRPV1 (0.53) TRPV1CNR1LMNASMN1; SMN2MEN1
SCHEMBL5247860 0.77 CNR1 (0.52) TRPV1CNR1SMN1; SMN2NPC1RAB9A
SCHEMBL11730609 0.75 LMNA (0.65) TRPV1CNR1LMNASMN1; SMN2NPC1
SCHEMBL5308093 0.74 TRPV1 (0.49) TRPV1SMN1; SMN2MEN1KMT2AMAPK1
SCHEMBL3582630 0.74 TRPV1 (0.43) TRPV1LMNASMN1; SMN2KDM4EMAPT
SCHEMBL3592435 0.74 TRPV1 (0.49) TRPV1CNR1SMN1; SMN2MEN1KMT2A
SCHEMBL13762081 0.73 TRPV1 (0.68) TRPV1NPC1RAB9AMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1853269-A2 AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME Renovis, Inc. (US) 2007-11-14 EP claimed
WO-2006093832-A2 AMIDE DERIVATIVES AS ION-CHANNEL LIGANDS AND PHARMACEUTICAL COMPOSITIONS AND METHODS OF USING THE SAME RENOVIS, INC. (US) 2006-09-08 WO claimed
US-20060194801-A1 Amide derivatives as ion-channel ligands and pharmaceutical compositions and methods of using the same EVOTEC AG (DE) 2006-08-31 US claimed
US-7576099-B2 Amide derivatives as ion-channel ligands and pharmaceutical compositions and methods of using the same RENOVIS, INC. (US) 2009-08-18 US disclosed
US-20080300243-A1 Amide Derivatives as Ion-Channel Ligands and Pharmaceutical Compositions and Methods of Using the Same RENOVIS, INC. 2008-12-04 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-20060194801-A1 Amide derivatives as ion-channel ligands and pharmaceutical compositions and methods of using the same TRPV1, TRPA1, TRPV2 TRPV1 1/4885CNR1 158/4885LMNA 2504/4885
US-20080300243-A1 Amide Derivatives as Ion-Channel Ligands and Pharmaceutical Compositions and Methods of Using the Same TRPV1, TRPA1, TRPV2 TRPV1 1/4885CNR1 158/4885LMNA 2504/4885

“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.