SCHEMBL4014373

SCHEMBL4014373

CCc1cccc2c1CCC2NC(=O)NCCF

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.49
EPHX2 P34913 4/20 0.45
TRPV1 Q8NER1 6/20 0.39
CD274 Q9NZQ7 1/20 0.37
FFAR1 O14842 1/20 0.36
PDE10A Q9Y233 1/20 0.36
MAOA P21397 2/20 0.36
MAOB P27338 2/20 0.36
BCHE P06276 1/20 0.36
ACHE P22303 2/20 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
SCHEMBL4017983 0.93 HTT (0.56) HTTEPHX2
SCHEMBL4016100 0.86 TRPV1 (0.51) HTTEPHX2TRPV1PDE10A
SCHEMBL4016934 0.85 EPHX2 (0.46) HTTEPHX2TRPV1PDE10A
SCHEMBL4018648 0.85 TAS1R3 (0.47) HTTEPHX2TRPV1
SCHEMBL4015994 0.84 EPHX2 (0.46) HTTEPHX2TRPV1
SCHEMBL4019187 0.84 EPHX2 (0.46) HTTEPHX2TRPV1PDE10A
SCHEMBL4014098 0.84 EPHX2 (0.46) HTTEPHX2TRPV1
SCHEMBL4018120 0.83 TAS1R3 (0.52) HTTEPHX2
SCHEMBL12860157 0.81 CYP11B1 (0.34) HTTTRPV1CD274FFAR1PDE10A
SCHEMBL1150658 0.81 CYP11B1 (0.34) HTTTRPV1CD274FFAR1PDE10A

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 HTT 3760/4885EPHX2 370/4885TRPV1 3053/4885

“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.