SCHEMBL434038

SCHEMBL434038

[C-]#[N+]c1cccc(C2(C(=O)N[C@H](CN3CC[C@H](O)C3)c3ccccc3)CC2)c1

nearest known ligand 0.42

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 7/20 0.42
OPRM1 P35372 1/20 0.42
OPRD1 P41143 1/20 0.42
CYP2D6 P10635 6/20 0.39

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
SCHEMBL10083292 0.84 OPRK1 (0.52) OPRK1OPRM1OPRD1CYP2D6
SCHEMBL10084060 0.83 OPRK1 (0.42) OPRK1OPRM1OPRD1CYP2D6
SCHEMBL433988 0.82 OPRK1 (0.52) OPRK1OPRM1OPRD1CYP2D6
SCHEMBL434260 0.82 OPRK1 (0.52) OPRK1OPRM1OPRD1CYP2D6
SCHEMBL432956 0.81 OPRK1 (0.46) OPRK1OPRM1OPRD1CYP2D6
SCHEMBL434628 0.80 OPRK1 (0.56) OPRK1OPRM1OPRD1CYP2D6
SCHEMBL15385502 0.79 ITGA4 (0.44) OPRK1OPRM1OPRD1CYP2D6
SCHEMBL434349 0.79 ITGA4 (0.44) OPRK1OPRM1OPRD1CYP2D6
SCHEMBL10083719 0.78 OPRK1 (0.44) OPRK1OPRM1OPRD1CYP2D6
Hydrochloric Acid SCHEMBL434724 0.78 ITGA4 (0.44) OPRK1OPRM1OPRD1CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012012410-A2 KAPPA OPIOID RECEPTOR AGONISTS DR. REDDY'S LABORATORIES LTD. (IN) 2012-01-26 WO claimed
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.