SCHEMBL17155368

SCHEMBL17155368

COC(=O)C1(N2CCC(N(C)c3cccc(N)c3F)CC2)CC1

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 2/20 0.36
OPRM1 P35372 1/20 0.36
OPRD1 P41143 1/20 0.35
CCR5 P51681 8/20 0.34
KCNH2 Q12809 1/20 0.31
CRBN Q96SW2 1/20 0.31
CHRNA7 P36544 1/20 0.31
HTR3A P46098 1/20 0.31
PPIA P62937 1/20 0.30

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
SCHEMBL17155018 0.84 KMT2A (0.37) OPRL1OPRM1OPRD1CCR5KCNH2
SCHEMBL18406816 0.81 OPRL1 (0.39) OPRL1OPRM1OPRD1CCR5
SCHEMBL17155364 0.78 CCR5 (0.39) OPRL1OPRM1OPRD1CCR5KCNH2
SCHEMBL1197953 0.75 HTR2A (0.42)
SCHEMBL18411503 0.75 CCR5 (0.39) OPRL1OPRM1OPRD1CCR5KCNH2
SCHEMBL18406810 0.73 KDM4E (0.40) KCNH2
SCHEMBL17154890 0.72 MC4R (0.32) OPRL1OPRM1OPRD1CCR5
SCHEMBL17154975 0.71 CCR5 (0.39) CCR5
SCHEMBL17155201 0.69 OPRL1 (0.38) OPRL1OPRM1OPRD1CCR5
SCHEMBL17154908 0.68 CCR5 (0.45) OPRL1OPRM1OPRD1CCR5CRBN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170022201-A1 MACROCYLIC PYRIDINE DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 2017-01-26 US disclosed
US-20170022201-A1 MACROCYLIC PYRIDINE DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 2017-01-26 US disclosed
WO-2015150557-A1 MACROCYLIC PYRIDINE DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 2015-10-08 WO 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-20170022201-A1 MACROCYLIC PYRIDINE DERIVATIVES VPS26B, VPS4B, VPS28 OPRL1 3562/4885OPRM1 4590/4885OPRD1 3628/4885

“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.