SCHEMBL5829758

SCHEMBL5829758

CC(C)N(C(=O)c1ccccc1N(c1cc(C#N)ccc1F)C1CCN(Cc2ccccc2)CC1)C(C)C

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 3/20 0.47
OPRM1 P35372 2/20 0.47
CHRM2 P08172 3/20 0.44
CHRM4 P08173 5/20 0.44
HRH3 Q9Y5N1 1/20 0.42
NOS3 P29474 1/20 0.42
NOS1 P29475 1/20 0.42
NOS2 P35228 1/20 0.42
THRB P10828 1/20 0.41
OPRK1 P41145 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
MCHR1 Q99705 1/20 0.41
CACNA2D1 P54289 1/20 0.41
CHRM3 P20309 2/20 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
SCHEMBL5830417 0.90 OPRM1 (0.38) OPRD1OPRM1CHRM2CHRM4OPRK1
SCHEMBL5830249 0.85 OPRM1 (0.50) OPRD1OPRM1CHRM2OPRK1MEN1
SCHEMBL5830426 0.83 OPRM1 (0.46) OPRD1OPRM1CHRM2OPRK1MEN1
SCHEMBL5879367 0.80 OPRD1 (0.43) OPRD1OPRM1CHRM4OPRK1
SCHEMBL5490000 0.77 OPRD1 (0.62) OPRD1OPRM1OPRK1
SCHEMBL5879402 0.77 OPRD1 (0.59) OPRD1OPRM1OPRK1
SCHEMBL5630624 0.76 OPRD1 (0.62) OPRD1OPRM1OPRK1
SCHEMBL5630813 0.75 OPRD1 (0.64) OPRD1OPRM1CHRM2OPRK1CHRM3
SCHEMBL5879308 0.75 OPRD1 (0.54) OPRD1OPRM1OPRK1
SCHEMBL5830266 0.74 OPRD1 (0.62) OPRD1OPRM1CHRM2OPRK1CHRM3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7008952-B2 4-(phenyl-(piperidin-4yl)-amino)-benzamide derivatives and their use for the treatment of pain, anxiety or gastrointestinal disorders ASTRAZENECA AB (SE) 2006-03-07 US disclosed
US-20040142966-A1 4-(phenyl-(piperidin-4yl)-amino)-benzamide derivatives and their use for the treatment of pain, anxiety or gastrointestinal disorders ASTRAZENECA AB (SE) 2004-07-22 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-20040142966-A1 4-(phenyl-(piperidin-4yl)-amino)-benzamide derivatives and their use for the treatment of pain, anxiety or gastrointestinal disorders HTR2C, HTR1D, HTR1A OPRD1 5/4885OPRM1 17/4885CHRM2 1889/4885

“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.