SCHEMBL21179604

SCHEMBL21179604

N=Cc1cn(C2CCN(C3CCCCC3)CC2)c2ccccc12

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 14/20 0.53
OPRM1 P35372 12/20 0.53
OPRD1 P41143 5/20 0.53
KDM4E B2RXH2 1/20 0.45
OPRK1 P41145 10/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
TMEM97 Q5BJF2 1/20 0.42
SIGMAR1 Q99720 1/20 0.42
CHRM2 P08172 1/20 0.42
CHRM4 P08173 1/20 0.42
CHRM1 P11229 1/20 0.42
CHRM3 P20309 1/20 0.42
SLC18A3 Q16572 1/20 0.42

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
SCHEMBL21179705 0.84 OPRL1 (0.74) OPRL1OPRM1OPRD1OPRK1
SCHEMBL23034688 0.84 OPRL1 (0.53) OPRL1OPRM1OPRD1OPRK1
SCHEMBL20229892 0.84 OPRL1 (0.74) OPRL1OPRM1OPRD1OPRK1
SCHEMBL23034686 0.84 OPRL1 (0.53) OPRL1OPRM1OPRD1OPRK1
SCHEMBL21179603 0.83 OPRL1 (0.53) OPRL1OPRM1OPRD1OPRK1
SCHEMBL23034791 0.80 OPRM1 (0.40) OPRL1OPRM1OPRD1OPRK1SLC18A3
SCHEMBL1786483 0.76 KDM4E (0.52) OPRL1OPRM1OPRD1KDM4EMEN1
SCHEMBL23034793 0.74 OPRL1 (0.72) OPRL1OPRM1OPRD1OPRK1TMEM97
SCHEMBL20229893 0.72 OPRL1 (0.74) OPRL1OPRM1OPRD1OPRK1
SCHEMBL18920998 0.72 OPRL1 (0.74) OPRL1OPRM1OPRD1OPRK1

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-10358432-B2 Piperdinyl nociceptin receptor compounds ASTRAEA THERAPEUTICS, LLC (US) 2019-07-23 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-10358432-B2 Piperdinyl nociceptin receptor compounds OPRL1, OPRK1, OPRD1 OPRL1 1/4885OPRM1 4/4885OPRD1 3/4885

“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.