SCHEMBL5934561

SCHEMBL5934561

COc1ccccc1-c1ccc(C(=O)Nc2ccc(C(F)(F)F)cc2)cn1

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ TRPV1 Q8NER1 6/20 0.60
▸ TDO2 P48775 1/20 0.56
▸ NPC1 O15118 1/20 0.52
▸ RAB9A P51151 1/20 0.52
▸ KCNQ3 O43525 1/20 0.51
▸ KCNQ2 O43526 1/20 0.51
▸ KCNE1 P15382 1/20 0.51
▸ KCNQ1 P51787 1/20 0.51
▸ KDR P35968 2/20 0.51
▸ TEK Q02763 1/20 0.50
▸ ABCB1 P08183 1/20 0.49
▸ ABCG2 Q9UNQ0 1/20 0.49
▸ CDK9 P50750 1/20 0.48
▸ ATR Q13535 1/20 0.48
▸ UGCG Q16739 2/20 0.48
▸ EPHX2 P34913 1/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ AHR P35869 1/20 0.47
▸ KMT2A Q03164 1/20 0.47

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
SCHEMBL5934177 0.89 TRPV1 (0.62) TRPV1TDO2NPC1RAB9AKCNQ3
SCHEMBL5934393 0.89 TDO2 (0.58) TRPV1TDO2KCNQ3KCNQ2KCNE1
SCHEMBL5934130 0.87 TDO2 (0.56) TRPV1TDO2NPC1RAB9AKDR
SCHEMBL5934463 0.86 TDO2 (0.58) TRPV1TDO2KCNQ3KCNQ2KCNE1
SCHEMBL5934402 0.85 TRPV1 (0.72) TRPV1NPC1RAB9AKCNQ3KCNQ2
SCHEMBL5934383 0.85 MEN1 (0.59) NPC1RAB9AKCNQ3KCNQ2KCNE1
SCHEMBL5934792 0.84 TRPV1 (0.62) TRPV1NPC1RAB9AKCNQ3KCNQ2
SCHEMBL5934290 0.84 MAPT (0.56) TRPV1NPC1RAB9AKDRCDK9
SCHEMBL5934304 0.83 NPC1 (0.52) TRPV1NPC1RAB9AKDRCDK9
SCHEMBL5934911 0.83 NPC1 (0.52) TRPV1NPC1RAB9ACDK9ATR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060100245-A1 Substituted biphenyl-4-carboxylic acid arylamide analogues NEUROGEN CORPORATION (US) 2006-05-11 — — 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-20060100245-A1 Substituted biphenyl-4-carboxylic acid arylamide analogues HCAR2, AHR, HCAR3 TRPV1 53/4885TDO2 1695/4885NPC1 3100/4885

“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.

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