SCHEMBL5201731

SCHEMBL5201731

CC1CN(CCOc2cc(NC(=O)c3ccc(-c4ncccc4C(F)(F)F)cc3O)ccc2C(C)(C)C)CC(C)O1

nearest known ligand 0.54

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 15/20 0.54
PDK1 Q15118 2/20 0.40
PDK2 Q15119 2/20 0.40
PDK3 Q15120 2/20 0.40
PDK4 Q16654 2/20 0.40

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
SCHEMBL14440891 1.00 TRPV1 (0.54) TRPV1PDK1PDK2PDK3PDK4
SCHEMBL14440889 0.90 TRPV1 (0.55) TRPV1
SCHEMBL5186316 0.90 TRPV1 (0.55) TRPV1
SCHEMBL5662114 0.88 TRPV1 (0.57) TRPV1
SCHEMBL5188109 0.86 TRPV1 (0.65) TRPV1
SCHEMBL5188638 0.81 TRPV1 (0.53) TRPV1PDK1PDK2PDK3PDK4
SCHEMBL4974018 0.79 TRPV1 (0.58) TRPV1
SCHEMBL14283209 0.79 TRPV1 (0.58) TRPV1
SCHEMBL4974013 0.79 TRPV1 (0.58) TRPV1
SCHEMBL4975201 0.79 TRPV1 (0.58) TRPV1

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-1720826-A4 HETEROALKYL-SUBSTITUTED BIPHENYL-4-CARBOXYLIC ACID ARYLAMIDE ANALOGUES NEUROGEN CORP (US) 2007-10-31 EP claimed
US-20070191363-A1 Heteroalkyl-substituted biphenyl-4-carboxylic acid arylamide analogues NEUROGEN CORPORATION (US) 2007-08-16 US claimed
EP-1720826-A2 HETEROALKYL-SUBSTITUTED BIPHENYL-4-CARBOXYLIC ACID ARYLAMIDE ANALOGUES NEUROGEN CORPORATION (US) 2006-11-15 EP claimed
WO-2005084368-A2 HETEROALKYL-SUBSTITUTED BIPHENYL-4-CARBOXYLIC ACID ARYLAMIDE ANALOGUES NEUROGEN CORPORATION (US) 2005-09-15 WO claimed
US-20070191363-A1 Heteroalkyl-substituted biphenyl-4-carboxylic acid arylamide analogues NEUROGEN CORPORATION (US) 2007-08-16 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-20070191363-A1 Heteroalkyl-substituted biphenyl-4-carboxylic acid arylamide analogues AHR, HCAR2, HCAR1 TRPV1 293/4885PDK1 1238/4885PDK2 1093/4885

“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.