SCHEMBL4015877

SCHEMBL4015877

Cc1cccc2c1C(NC(=O)NCCF)CC2

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 4/20 0.51
EPHX2 P34913 4/20 0.46
HTT P42858 1/20 0.44
TAS1R3 Q7RTX0 2/20 0.38
TAS1R1 Q7RTX1 2/20 0.38
TAS1R2 Q8TE23 2/20 0.38
ACHE P22303 2/20 0.37
XIAP P98170 1/20 0.36
CCKBR P32239 1/20 0.35
CYP2D6 P10635 1/20 0.35

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
SCHEMBL4013467 0.86 EPHX2 (0.46) TRPV1EPHX2HTTTAS1R3TAS1R1
SCHEMBL4017160 0.85 EPHX2 (0.40) TRPV1EPHX2HTT
SCHEMBL4015267 0.85 P2RX7 (0.46) TRPV1EPHX2HTTTAS1R3TAS1R1
SCHEMBL4014517 0.85 P2RX7 (0.46) TRPV1EPHX2HTTTAS1R3TAS1R1
SCHEMBL4014628 0.84 MTNR1A (0.46) EPHX2ACHE
SCHEMBL4014607 0.81 EPHX2 (0.39) TRPV1EPHX2HTT
SCHEMBL4015601 0.81 EPHX2 (0.39) TRPV1EPHX2HTTTAS1R3TAS1R1
SCHEMBL4016100 0.80 TRPV1 (0.51) TRPV1EPHX2HTTTAS1R3TAS1R1
SCHEMBL12860309 0.79 TRPV1 (0.38) TRPV1ACHE
SCHEMBL4014522 0.79 EPHX2 (0.69) EPHX2HTTTAS1R3TAS1R1TAS1R2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7598417-B2 Analgesics; muscular disorders; diarrhea ALLERGAN, INC. (US) 2009-10-06 US claimed
US-20080255239-A1 SUBSTITUTED FLUOROETHYL UREAS AS ALPHA 2 ADRENERGIC AGENTS ALLERGAN, INC. 2008-10-16 US claimed
US-7598417-B2 Analgesics; muscular disorders; diarrhea ALLERGAN, INC. (US) 2009-10-06 US disclosed
US-7598417-B2 Analgesics; muscular disorders; diarrhea ALLERGAN, INC. (US) 2009-10-06 US disclosed
US-7598417-B2 Analgesics; muscular disorders; diarrhea ALLERGAN, INC. (US) 2009-10-06 US disclosed
US-20080255239-A1 SUBSTITUTED FLUOROETHYL UREAS AS ALPHA 2 ADRENERGIC AGENTS ALLERGAN, INC. 2008-10-16 US disclosed
US-20080255239-A1 SUBSTITUTED FLUOROETHYL UREAS AS ALPHA 2 ADRENERGIC AGENTS ALLERGAN, INC. 2008-10-16 US disclosed
US-20080255239-A1 SUBSTITUTED FLUOROETHYL UREAS AS ALPHA 2 ADRENERGIC AGENTS ALLERGAN, INC. 2008-10-16 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-20080255239-A1 SUBSTITUTED FLUOROETHYL UREAS AS ALPHA 2 ADRENERGIC AGENTS ADRB2, ADRA2A, ADRA2C TRPV1 3053/4885EPHX2 370/4885HTT 3760/4885

“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.