SCHEMBL6764990

SCHEMBL6764990

COc1cccc(C(=C2CCN(C(=O)OC(C)(C)C)CC2)c2ccc(C(=O)N(C(C)C)C(C)C)cc2)c1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.52
KMT2A Q03164 4/20 0.52
OPRM1 P35372 5/20 0.50
OPRD1 P41143 5/20 0.50
GPR119 Q8TDV5 3/20 0.46
SLC2A1 P11166 1/20 0.43
STS P08842 1/20 0.43
CHRNA1 P02708 1/20 0.41
CHRNG P07510 1/20 0.41
CHRNB1 P11230 1/20 0.41
CHRNB2 P17787 1/20 0.41
SLC6A2 P23975 1/20 0.41
CHRNB4 P30926 1/20 0.41
CHRNA3 P32297 1/20 0.41
CHRNA4 P43681 1/20 0.41
SLC6A3 Q01959 1/20 0.41
CHRND Q07001 1/20 0.41
TGFBR1 P36897 1/20 0.41
GHSR Q92847 1/20 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
SCHEMBL5800237 0.78 GPR119 (0.47) GPR119
SCHEMBL5215770 0.77 OPRD1 (0.51) OPRM1OPRD1
SCHEMBL19598957 0.77 GPR119 (0.48) MEN1KMT2AOPRD1GPR119
SCHEMBL5779506 0.76 OPRM1 (0.49) OPRM1OPRD1GPR119
SCHEMBL24621774 0.75 KDM4E (0.53) MEN1KMT2AOPRD1GPR119
SCHEMBL5218154 0.75 OPRD1 (0.59) OPRM1OPRD1
SCHEMBL5367295 0.75 OPRD1 (0.57) OPRM1OPRD1
SCHEMBL5954803 0.74 OPRD1 (0.64) OPRM1OPRD1
SCHEMBL14543729 0.74 OPRD1 (0.53) OPRM1OPRD1GPR119
SCHEMBL14655033 0.73 MEN1 (0.63) MEN1KMT2AGPR119STSTGFBR1

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-20040138259-A1 4-(phenyl-piperdin-4-ylidene-methyl)-benzamide derivatives and their use for the treatment of pain, anxiety or gastrointestinal disorders ASTRAZENECA AB (SE) 2004-07-15 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-20040138259-A1 4-(phenyl-piperdin-4-ylidene-methyl)-benzamide derivatives and their use for the treatment of pain, anxiety or gastrointestinal disorders HTR1D, OPRM1, HTR2C MEN1 3463/4885KMT2A 1019/4885OPRM1 2/4885

“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.