SCHEMBL3578102

SCHEMBL3578102

CCN(CCO[Si](CC)(CC)CC)C(=O)c1ccc([C@H](c2ccccc2)N2C[C@@H](C)N(Cc3cccc(F)c3)C[C@@H]2C)cc1

nearest known ligand 0.63

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 4/20 0.59
CYP1A2 P05177 3/20 0.53
CYP3A4 P08684 3/20 0.53
KDM4E B2RXH2 2/20 0.53
CYP2C9 P11712 2/20 0.53
HPGD P15428 2/20 0.53
CYP2C19 P33261 2/20 0.53
OPRM1 P35372 1/20 0.49
MEN1 O00255 1/20 0.49
LMNA P02545 1/20 0.49
BLM P54132 1/20 0.49
PMP22 Q01453 1/20 0.49
KMT2A Q03164 1/20 0.49

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
SCHEMBL3578106 1.00 OPRD1 (0.59) OPRD1CYP1A2CYP3A4KDM4ECYP2C9
SCHEMBL12017979 0.89 OPRD1 (0.72) OPRD1CYP1A2CYP3A4KDM4ECYP2C9
SCHEMBL4576255 0.89 OPRD1 (0.72) OPRD1CYP1A2CYP3A4KDM4ECYP2C9
SCHEMBL4576944 0.89 OPRD1 (0.72) OPRD1CYP1A2CYP3A4KDM4ECYP2C9
SCHEMBL12018160 0.89 OPRD1 (0.72) OPRD1CYP1A2CYP3A4KDM4ECYP2C9
SCHEMBL3111930 0.89 OPRD1 (0.72) OPRD1CYP1A2CYP3A4KDM4ECYP2C9
SCHEMBL3580846 0.89 OPRD1 (0.64) OPRD1CYP1A2CYP3A4KDM4ECYP2C9
SCHEMBL3580843 0.89 OPRD1 (0.64) OPRD1CYP1A2CYP3A4KDM4ECYP2C9
SCHEMBL5300566 0.83 OPRD1 (0.71) OPRD1CYP1A2CYP3A4CYP2C9HPGD
SCHEMBL14441049 0.83 OPRD1 (0.71) OPRD1CYP1A2CYP3A4CYP2C9HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7683168-B2 Compositions of novel opioid compounds and method of use thereof Mount Cook Bio Sciences, Inc. (US) 2010-03-23 US disclosed
US-7683168-B2 Compositions of novel opioid compounds and method of use thereof Mount Cook Bio Sciences, Inc. (US) 2010-03-23 US disclosed
US-20070043028-A1 Compositions of novel opioid compounds and method of use thereof DMK PHARMACEUTICALS CORPORATION 2007-02-22 US disclosed
US-20070043028-A1 Compositions of novel opioid compounds and method of use thereof DMK PHARMACEUTICALS CORPORATION 2007-02-22 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-20070043028-A1 Compositions of novel opioid compounds and method of use thereof OPRL1, OPRD1, OPRK1 OPRD1 2/4885CYP1A2 1819/4885CYP3A4 2559/4885

“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.