SCHEMBL4017096

SCHEMBL4017096

COc1ccc2c(c1)CCC2NC(=O)NCCF

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 5/20 0.52
TAS1R3 Q7RTX0 1/20 0.49
TAS1R1 Q7RTX1 1/20 0.49
TAS1R2 Q8TE23 1/20 0.49
MEN1 O00255 1/20 0.47
ALDH1A1 P00352 1/20 0.47
MAPT P10636 1/20 0.47
KMT2A Q03164 1/20 0.47
ATM Q13315 1/20 0.46
MTNR1A P48039 7/20 0.46
NQO2 P16083 6/20 0.46
MTNR1B P49286 6/20 0.46
EPHX2 P34913 2/20 0.46
HTT P42858 1/20 0.45

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
SCHEMBL4017021 0.91 MTNR1A (0.54) MTNR1ANQO2MTNR1B
SCHEMBL4014154 0.84 TRPV1 (0.50) TRPV1KMT2AEPHX2HTT
SCHEMBL4016297 0.84 MTNR1A (0.54) TRPV1MEN1ALDH1A1MAPTKMT2A
SCHEMBL4016138 0.83 TRPV1 (0.59) TRPV1KMT2AEPHX2HTT
SCHEMBL4016043 0.82 TRPV1 (0.50) TRPV1KMT2AEPHX2HTT
SCHEMBL4015713 0.82 TRPV1 (0.58) TRPV1TAS1R3TAS1R1TAS1R2EPHX2
SCHEMBL4710772 0.80 CA12 (0.64) TRPV1TAS1R3TAS1R1TAS1R2MEN1
SCHEMBL4018120 0.79 TAS1R3 (0.52) TAS1R3TAS1R1TAS1R2MAPTMTNR1A
SCHEMBL4014522 0.79 EPHX2 (0.69) TAS1R3TAS1R1TAS1R2MEN1ALDH1A1
SCHEMBL4023045 0.79 EPHX2 (0.69) TAS1R3TAS1R1TAS1R2MEN1ALDH1A1

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 3053/4885TAS1R3 4338/4885TAS1R1 4376/4885

“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.