SCHEMBL5632056

SCHEMBL5632056

CC(C)c1c(C(N)=O)ccc(N(c2cccc(C(N)=O)c2)C2CCN(Cc3ccccn3)CC2)c1C(C)C

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 6/20 0.47
OPRD1 P41143 6/20 0.47
OPRK1 P41145 4/20 0.47
PARP1 P09874 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.41
KCNH2 Q12809 1/20 0.41
DRD4 P21917 1/20 0.40
LMNA P02545 2/20 0.40
ALDH1A1 P00352 1/20 0.40
PKM P14618 1/20 0.40
SLC5A7 Q9GZV3 1/20 0.40
F2 P00734 1/20 0.39
F10 P00742 1/20 0.39
PRSS1 P07477 1/20 0.39
KDM4E B2RXH2 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
POLB P06746 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C19 P33261 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
SCHEMBL5829647 0.88 PARP1 (0.42) OPRM1OPRD1OPRK1PARP1L3MBTL1
SCHEMBL5631262 0.88 OPRD1 (0.61) OPRM1OPRD1OPRK1
SCHEMBL5629479 0.86 PARP1 (0.46) OPRM1OPRD1OPRK1PARP1LMNA
SCHEMBL5829874 0.85 PARP1 (0.47) OPRM1OPRD1PARP1L3MBTL1DRD4
SCHEMBL5629708 0.84 OPRD1 (0.53) OPRM1OPRD1OPRK1
SCHEMBL5629652 0.84 OPRD1 (0.53) OPRM1OPRD1OPRK1PARP1KCNH2
SCHEMBL5633317 0.84 OPRD1 (0.55) OPRM1OPRD1OPRK1
SCHEMBL5630843 0.84 OPRD1 (0.52) OPRM1OPRD1OPRK1
SCHEMBL6613888 0.82 OPRM1 (0.49) OPRM1OPRD1OPRK1PARP1
SCHEMBL5632050 0.81 OPRD1 (0.61) OPRM1OPRD1OPRK1

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-7186733-B2 4-(phenyl-(piperidin-4yl)-amino)-benzamide derivatives and their use for the treatment of pain, anxiety or gastrointestinal disorders ASTRAZENECA AB (SE) 2007-03-06 US claimed
US-20040142965-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-20040142965-A1 4-(phenyl-(piperidin-4yl)-amino)-benzamide derivatives and their use for the treatment of pain, anxiety or gastrointestinal disorders HTR2C, HTR1D, OPRL1 OPRM1 5/4885OPRD1 4/4885OPRK1 12/4885

“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.