SCHEMBL4014048

SCHEMBL4014048

Cc1ccc2c(c1)C(NC(=O)NCCF)CC2

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 6/20 0.49
EPHX2 P34913 4/20 0.48
HTT P42858 1/20 0.47
PDE10A Q9Y233 2/20 0.44
DHODH Q02127 1/20 0.41
CCR2 P41597 1/20 0.41
KMT2A Q03164 2/20 0.40
LMNA P02545 2/20 0.38
MEN1 O00255 1/20 0.38
ACHE P22303 1/20 0.38

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
SCHEMBL4014154 0.90 TRPV1 (0.50) TRPV1EPHX2HTTPDE10ADHODH
SCHEMBL3732407 0.88 TRPV1 (0.49) TRPV1EPHX2HTTPDE10ADHODH
SCHEMBL4017499 0.86 EPHX2 (0.49) TRPV1EPHX2HTTPDE10ADHODH
SCHEMBL4017010 0.85 TRPV1 (0.48) TRPV1EPHX2HTTDHODHLMNA
SCHEMBL4017836 0.85 EPHX2 (0.48) TRPV1EPHX2HTTKMT2ALMNA
SCHEMBL4017021 0.84 MTNR1A (0.54) PDE10A
SCHEMBL4014522 0.82 EPHX2 (0.69) EPHX2HTTDHODHKMT2ALMNA
SCHEMBL4014525 0.82 EPHX2 (0.69) EPHX2HTTDHODHKMT2ALMNA
SCHEMBL4023045 0.82 EPHX2 (0.69) EPHX2HTTDHODHKMT2ALMNA
SCHEMBL12860197 0.79 TRPV1 (0.37) TRPV1PDE10ADHODHCCR2KMT2A

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.