SCHEMBL10248464

SCHEMBL10248464

CC(=O)[C@@H](c1ccccc1)N1CN(c2ccccc2)C2(CCNCC2)C1=O

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 15/20 0.51
OPRL1 P41146 15/20 0.51
OPRD1 P41143 13/20 0.51
OPRM1 P35372 13/20 0.51
HSD17B10 Q99714 1/20 0.45
BDKRB2 P30411 1/20 0.43
NPC1L1 Q9UHC9 2/20 0.39
DRD2 P14416 1/20 0.35
DRD4 P21917 1/20 0.35
HTR2A P28223 1/20 0.35
DRD3 P35462 1/20 0.35

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
SCHEMBL10248209 1.00 OPRK1 (0.51) OPRK1OPRL1OPRD1OPRM1HSD17B10
SCHEMBL318391 0.88 OPRL1 (0.48) OPRK1OPRL1OPRD1OPRM1HSD17B10
SCHEMBL318086 0.88 OPRL1 (0.48) OPRK1OPRL1OPRD1OPRM1HSD17B10
SCHEMBL318087 0.88 OPRL1 (0.48) OPRK1OPRL1OPRD1OPRM1HSD17B10
SCHEMBL318532 0.85 OPRM1 (0.46) OPRK1OPRL1OPRD1OPRM1HSD17B10
SCHEMBL318533 0.85 OPRM1 (0.46) OPRK1OPRL1OPRD1OPRM1HSD17B10
SCHEMBL318548 0.85 OPRM1 (0.46) OPRK1OPRL1OPRD1OPRM1HSD17B10
SCHEMBL9998993 0.84 OPRL1 (0.45) OPRK1OPRL1OPRD1OPRM1HSD17B10
SCHEMBL9998646 0.83 OPRM1 (0.46) OPRK1OPRL1OPRD1OPRM1HSD17B10
Toluene SCHEMBL318509 0.82 OPRM1 (0.43) OPRK1OPRL1OPRD1OPRM1HSD17B10

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-9156840-B2 D2 antagonists, methods of synthesis and methods of use Altos Therapeutics, LLC (US) 2015-10-13 US disclosed
US-20140350005-A1 D2 ANTAGONISTS, METHODS OF SYNTHESIS AND METHODS OF USE TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-11-27 US disclosed
US-8691836-B2 D2 antagonists, methods of synthesis and methods of use Altos Therapeutics, LLC (US) 2014-04-08 US disclosed
US-20120010228-A1 D2 ANTAGONISTS, METHODS OF SYNTHESIS AND METHODS OF USE Altos Therapeutics, LLC 2012-01-12 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 (2 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-20140350005-A1 D2 ANTAGONISTS, METHODS OF SYNTHESIS AND METHODS OF USE DRD2, DRD3, AVPR2 OPRK1 29/4885OPRL1 28/4885OPRD1 12/4885
US-20120010228-A1 D2 ANTAGONISTS, METHODS OF SYNTHESIS AND METHODS OF USE DRD2, DRD3, AVPR2 OPRK1 29/4885OPRL1 28/4885OPRD1 12/4885

“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.