SCHEMBL16226345

SCHEMBL16226345

CC[N+]1(CC)C[C@H](C)N(C(c2ccccc2)c2ccccc2)C[C@H]1C

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ OPRD1 P41143 4/20 0.48
▸ SLC6A9 P48067 1/20 0.39
▸ KDM4E B2RXH2 2/20 0.38
▸ CYP1A2 P05177 2/20 0.38
▸ CYP3A4 P08684 2/20 0.38
▸ CYP2C9 P11712 2/20 0.38
▸ HPGD P15428 2/20 0.38
▸ CYP2C19 P33261 2/20 0.38
▸ OPRL1 P41146 3/20 0.37
▸ OPRM1 P35372 2/20 0.37
▸ SIGMAR1 Q99720 3/20 0.36
▸ OPRK1 P41145 1/20 0.34
▸ DPP4 P27487 1/20 0.34

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
SCHEMBL16227065 1.00 OPRD1 (0.48) OPRD1SLC6A9KDM4ECYP1A2CYP3A4
SCHEMBL7665838 0.72 OPRD1 (0.69) OPRD1SLC6A9KDM4ECYP1A2CYP3A4
SCHEMBL9252941 0.70 OPRD1 (0.48) OPRD1SLC6A9KDM4ECYP1A2CYP3A4
SCHEMBL13955139 0.69 OPRD1 (0.50) OPRD1SLC6A9KDM4EOPRL1OPRM1
SCHEMBL4499828 0.68 SIGMAR1 (0.52) OPRD1SLC6A9OPRL1OPRM1SIGMAR1
SCHEMBL16226518 0.68 OPRD1 (0.63) OPRD1KDM4ECYP1A2CYP3A4CYP2C9
SCHEMBL14191407 0.67 OPRD1 (0.66) OPRD1
SCHEMBL13163119 0.66 OPRM1 (0.51) OPRD1SLC6A9KDM4EOPRL1OPRM1
SCHEMBL21787342 0.66 OPRM1 (0.51) OPRD1SLC6A9KDM4EOPRL1OPRM1
SCHEMBL17012864 0.66 OPRD1 (0.46) OPRD1SLC6A9OPRL1OPRM1SIGMAR1

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-20140335050-A1 METHODS, COMPOSITIONS, AND KITS FOR THE TREATMENT OF CANCER THE GENERAL HOSPITAL CORPORATION (US) 2014-11-13 — — 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-20140335050-A1 METHODS, COMPOSITIONS, AND KITS FOR THE TREATMENT OF CANCER IL2RA, CD74, IL2 OPRD1 66/4885SLC6A9 4793/4885KDM4E 4836/4885

“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.

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