SCHEMBL10162841

SCHEMBL10162841

CCN1CCC(c2ccc(N3CCC(O)(c4ccccc4)CC3)cc2)C1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 7/20 0.43
OPRM1 P35372 5/20 0.43
OPRD1 P41143 5/20 0.43
OPRK1 P41145 5/20 0.43
POLB P06746 1/20 0.42
SIGMAR1 Q99720 3/20 0.41
CHRNA7 P36544 1/20 0.41
DRD2 P14416 1/20 0.41
ALDH1A1 P00352 1/20 0.40
SLC18A3 Q16572 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
SCHEMBL10161329 0.83 CHRNA7 (0.60) SIGMAR1CHRNA7DRD2SLC18A3
SCHEMBL10162753 0.83 OPRM1 (0.46) OPRL1OPRM1OPRD1OPRK1SIGMAR1
SCHEMBL10163591 0.80 KMT2A (0.41) CHRNA7DRD2SLC18A3
SCHEMBL10162738 0.78 KMT2A (0.46) CHRNA7DRD2
SCHEMBL10162628 0.78 KMT2A (0.46) CHRNA7DRD2
SCHEMBL10162449 0.78 GAA (0.56) SIGMAR1CHRNA7DRD2
SCHEMBL10163589 0.77 KMT2A (0.43) CHRNA7DRD2SLC18A3
SCHEMBL10162843 0.76 KMT2A (0.44) CHRNA7DRD2
SCHEMBL10130922 0.76 DRD2 (0.41) OPRL1OPRM1OPRD1OPRK1POLB
SCHEMBL23374660 0.76 DRD2 (0.66) SIGMAR1DRD2ALDH1A1SLC18A3

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-20120165320-A1 NOVEL AZABICYCLOHEXANES PANACEA BIOTEC LTD. (IN) 2012-06-28 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-20120165320-A1 NOVEL AZABICYCLOHEXANES CYP3A43, UGT1A1, CYP3A4 OPRL1 1784/4885OPRM1 203/4885OPRD1 352/4885

“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.