SCHEMBL463463

SCHEMBL463463

O=C(N[C@H](CN1CCC(O)C1)c1cccc(O)c1)C1(c2ccc3oc(=O)[nH]c3c2)CC1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 2/20 0.36
OPRM1 P35372 1/20 0.36
OPRD1 P41143 1/20 0.36
KCNH2 Q12809 1/20 0.34
MCHR2 Q969V1 1/20 0.34
MCHR1 Q99705 1/20 0.34
GRIN2B Q13224 1/20 0.33
CDC7 O00311 2/20 0.32
PIM1 P11309 2/20 0.32
CSNK2A2 P19784 2/20 0.32
CSNK2B P67870 2/20 0.32
CSNK2A1 P68400 2/20 0.32
PIM3 Q86V86 2/20 0.32
PIM2 Q9P1W9 2/20 0.32
CYP1A2 P05177 1/20 0.32

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
SCHEMBL463462 1.00 OPRK1 (0.36) OPRK1OPRM1OPRD1KCNH2MCHR2
SCHEMBL15380158 0.92 OPRK1 (0.42) OPRK1OPRM1OPRD1GRIN2B
SCHEMBL10083332 0.92 OPRK1 (0.42) OPRK1OPRM1OPRD1GRIN2B
SCHEMBL15380154 0.92 OPRK1 (0.42) OPRK1OPRM1OPRD1GRIN2B
SCHEMBL460484 0.90 CDC7 (0.39) OPRK1OPRM1OPRD1GRIN2BCDC7
SCHEMBL460483 0.90 CDC7 (0.39) OPRK1OPRM1OPRD1GRIN2BCDC7
SCHEMBL462957 0.89 OPRK1 (0.37) OPRK1OPRM1OPRD1KCNH2MCHR2
SCHEMBL462958 0.89 OPRK1 (0.37) OPRK1OPRM1OPRD1KCNH2MCHR2
SCHEMBL433022 0.89 TRPV1 (0.37) OPRK1KCNH2MCHR2MCHR1GRIN2B
SCHEMBL433021 0.89 TRPV1 (0.37) OPRK1KCNH2MCHR2MCHR1GRIN2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9303027-B2 Kappa opioid receptor agonists DR. REDDY'S LABORATORIES LTD. (IN) 2016-04-05 US claimed
US-9303027-B2 Kappa opioid receptor agonists DR. REDDY'S LABORATORIES LTD. (IN) 2016-04-05 US disclosed
US-20130303525-A1 KAPPA OPIOID RECEPTOR AGONISTS DR. REDDY'S LABORATORIES, INC. (US) 2013-11-14 US disclosed
WO-2012012410-A2 KAPPA OPIOID RECEPTOR AGONISTS DR. REDDY'S LABORATORIES LTD. (IN) 2012-01-26 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-20130303525-A1 KAPPA OPIOID RECEPTOR AGONISTS OPRK1, OPRL1, OPRD1 OPRK1 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.