SCHEMBL20340396

SCHEMBL20340396

COc1ccc(N2CN(C)C(=O)C23CCCCC3)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.49
OPRD1 P41143 1/20 0.49
OPRK1 P41145 1/20 0.49
OPRL1 P41146 1/20 0.49
ALDH1A1 P00352 4/20 0.46
MAPK1 P28482 1/20 0.46
GRIN1 Q05586 1/20 0.46
GRIN2A Q12879 1/20 0.46
GRIN2B Q13224 1/20 0.46
HTR1A P08908 2/20 0.43
SMN1; SMN2 Q16637 3/20 0.41
RAB9A P51151 3/20 0.41
KDM4E B2RXH2 2/20 0.41
NPC1 O15118 2/20 0.41
TP53 P04637 1/20 0.41
HPGD P15428 1/20 0.41
TSHR P16473 1/20 0.41
HSD17B10 Q99714 1/20 0.41
HSD11B1 P28845 1/20 0.41
POLB P06746 1/20 0.41

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
SCHEMBL20340374 0.82 OPRM1 (0.48) OPRM1OPRD1OPRK1OPRL1ALDH1A1
SCHEMBL20340400 0.82 OPRM1 (0.48) OPRM1OPRD1OPRK1OPRL1ALDH1A1
SCHEMBL20340397 0.82 OPRM1 (0.48) OPRM1OPRD1OPRK1OPRL1ALDH1A1
SCHEMBL18961829 0.82 OPRL1 (0.64) OPRM1OPRD1OPRK1OPRL1DRD2
SCHEMBL17140451 0.82 OPRM1 (0.52) OPRM1OPRD1OPRK1OPRL1ALDH1A1
SCHEMBL20340376 0.81 RAB9A (0.46) OPRM1OPRD1OPRK1OPRL1ALDH1A1
SCHEMBL17149482 0.79 NPC1L1 (0.45) OPRM1OPRD1OPRK1OPRL1ALDH1A1
SCHEMBL20340381 0.79 DRD2 (0.49) OPRM1OPRD1OPRK1OPRL1ALDH1A1
SCHEMBL20340373 0.79 OPRM1 (0.45) OPRM1OPRD1OPRK1OPRL1HSD11B1
SCHEMBL18961830 0.78 ENPP2 (0.48) OPRM1OPRD1OPRK1OPRL1MAPK1

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-10011601-B2 Substituted spirocyclic inhibitors of autotaxin X-RX, INC. (US) 2018-07-03 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-10011601-B2 Substituted spirocyclic inhibitors of autotaxin ENPP2, SLC10A1, CXCR3 OPRM1 2568/4885OPRD1 823/4885OPRK1 770/4885

“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.