SCHEMBL4014154

SCHEMBL4014154

Cc1ccc2c(c1)CCC2NC(=O)NCCF

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 8/20 0.50
EPHX2 P34913 4/20 0.48
HTT P42858 1/20 0.47
PDE10A Q9Y233 1/20 0.45
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA7 P43166 1/20 0.43
CA9 Q16790 1/20 0.43
CA14 Q9ULX7 1/20 0.43
HCRTR1 O43613 2/20 0.41
HCRTR2 O43614 2/20 0.41
DHODH Q02127 1/20 0.41
LMNA P02545 1/20 0.40
KMT2A Q03164 1/20 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
SCHEMBL4014048 0.90 TRPV1 (0.49) TRPV1EPHX2HTTPDE10ADHODH
SCHEMBL4016138 0.86 TRPV1 (0.59) TRPV1EPHX2HTTPDE10AKMT2A
SCHEMBL4016043 0.85 TRPV1 (0.50) TRPV1EPHX2HTTCA12CA1
SCHEMBL4015713 0.85 TRPV1 (0.58) TRPV1EPHX2HTTPDE10ADHODH
SCHEMBL4017096 0.84 TRPV1 (0.52) TRPV1EPHX2HTTKMT2A
SCHEMBL4014522 0.82 EPHX2 (0.69) EPHX2HTTDHODHLMNAKMT2A
SCHEMBL4014525 0.82 EPHX2 (0.69) EPHX2HTTDHODHLMNAKMT2A
SCHEMBL4023045 0.82 EPHX2 (0.69) EPHX2HTTDHODHLMNAKMT2A
SCHEMBL4017499 0.79 EPHX2 (0.49) TRPV1EPHX2HTTPDE10ADHODH
SCHEMBL4017836 0.78 EPHX2 (0.48) TRPV1EPHX2HTTLMNAKMT2A

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.