SCHEMBL6746450

SCHEMBL6746450

CC(C)N(C(=O)c1ccc(N(c2cccc(C(N)=O)c2F)C2CCCCN2Cc2ccco2)cc1)C(C)C

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 4/20 0.37
OPRD1 P41143 4/20 0.37
OPRK1 P41145 3/20 0.37
PARP1 P09874 4/20 0.36
PARP2 Q9UGN5 1/20 0.35
HSD17B10 Q99714 2/20 0.32
LMNA P02545 1/20 0.32
TSHR P16473 1/20 0.32
MAPK1 P28482 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
MAPT P10636 2/20 0.32
KMT2A Q03164 1/20 0.32
NPSR1 Q6W5P4 3/20 0.32
POLB P06746 2/20 0.31
ALDH1A1 P00352 1/20 0.31
HTT P42858 1/20 0.31
TP53 P04637 1/20 0.31
HPGD P15428 1/20 0.31

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
SCHEMBL5830461 0.88 OPRM1 (0.38) OPRM1OPRD1OPRK1PARP1HSD17B10
SCHEMBL5829610 0.85 OPRD1 (0.51) OPRM1OPRD1OPRK1PARP1PARP2
SCHEMBL5829609 0.76 OPRD1 (0.46) OPRM1OPRD1OPRK1PARP1PARP2
SCHEMBL5879313 0.76 OPRD1 (0.64) OPRM1OPRD1OPRK1
SCHEMBL6818109 0.74 OPRD1 (0.47) OPRM1OPRD1OPRK1PARP1
SCHEMBL5830028 0.73 OPRD1 (0.55) OPRM1OPRD1OPRK1PARP2
SCHEMBL5830263 0.73 OPRD1 (0.68) OPRM1OPRD1OPRK1
SCHEMBL5829898 0.72 OPRD1 (0.51) OPRM1OPRD1OPRK1PARP1PARP2
SCHEMBL5829862 0.71 OPRD1 (0.58) OPRM1OPRD1OPRK1PARP1
SCHEMBL5829735 0.71 OPRD1 (0.51) OPRM1OPRD1OPRK1PARP1PARP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed

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 OPRM1 17/4885OPRD1 5/4885OPRK1 37/4885

“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.