SCHEMBL4979111

SCHEMBL4979111

Cn1ccnc1C12CCC(CC(O)C1)N2Cc1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 17/20 0.37
OPRK1 P41145 13/20 0.37
OPRM1 P35372 2/20 0.37
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
EGLN1 Q9GZT9 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
SCHEMBL14284041 0.71 DRD2 (0.44) OPRD1OPRK1OPRM1
Hydrochloric Acid SCHEMBL7291688 0.67 OPRK1 (0.44) OPRD1OPRK1OPRM1
Hydrochloric Acid SCHEMBL7291696 0.67 OPRK1 (0.44) OPRD1OPRK1OPRM1
SCHEMBL4975869 0.66 OPRD1 (0.33) OPRD1OPRK1OPRM1
SCHEMBL29761185 0.65 CXCR3 (0.44) OPRK1OPRM1
SCHEMBL1696871 0.61 NCF1 (0.39)
SCHEMBL6045459 0.61 NPFFR1 (0.45) OPRD1OPRK1OPRM1EGLN1
SCHEMBL694189 0.60 CHRM2 (0.62) OPRD1OPRK1OPRM1
SCHEMBL13993541 0.60 CHRM2 (0.62) OPRD1OPRK1OPRM1
SCHEMBL16766562 0.60 CHRM2 (0.62) OPRD1OPRK1OPRM1

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-20080021038-A1 Novel Piperidine/8-Azabicyclo [3.2.1.] Octan Derivatives As Modulators Of Chemokine Receptor Ccr5 TUCKER HOWARD 2008-01-24 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-20080021038-A1 Novel Piperidine/8-Azabicyclo [3.2.1.] Octan Derivatives As Modulators Of Chemokine Receptor Ccr5 CCR5, CXCR1, CCR2 OPRD1 30/4885OPRK1 51/4885OPRM1 31/4885

“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.