SCHEMBL318945

SCHEMBL318945

CC(C)(C)OC(=O)C(c1ccccc1)N1CN(c2ccccc2)C2(CCN(C(=O)O)CC2)C1=O

nearest known ligand 0.51

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 4/20 0.51
OPRD1 P41143 4/20 0.51
OPRK1 P41145 4/20 0.51
OPRL1 P41146 4/20 0.51
NPC1L1 Q9UHC9 16/20 0.47

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
SCHEMBL318664 0.89 OPRL1 (0.54) OPRM1OPRD1OPRK1OPRL1NPC1L1
SCHEMBL318405 0.88 NPC1L1 (0.53) OPRM1OPRD1OPRK1OPRL1NPC1L1
SCHEMBL318404 0.88 NPC1L1 (0.53) OPRM1OPRD1OPRK1OPRL1NPC1L1
SCHEMBL318942 0.88 NPC1L1 (0.53) OPRM1OPRD1OPRK1OPRL1NPC1L1
SCHEMBL318548 0.88 OPRM1 (0.46) OPRM1OPRD1OPRK1OPRL1NPC1L1
SCHEMBL318532 0.88 OPRM1 (0.46) OPRM1OPRD1OPRK1OPRL1NPC1L1
SCHEMBL318533 0.88 OPRM1 (0.46) OPRM1OPRD1OPRK1OPRL1NPC1L1
Toluene SCHEMBL318509 0.84 OPRM1 (0.43) OPRM1OPRD1OPRK1OPRL1NPC1L1
SCHEMBL318241 0.83 DRD2 (0.58) OPRM1
SCHEMBL318242 0.83 DRD2 (0.58) OPRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3138841-A1 D2 ANTAGONISTS, METHODS OF SYNTHESIS AND METHODS OF USE Altos Therapeutics, LLC (US) 2017-03-08 EP disclosed
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
EP-2582701-A1 D2 ANTAGONISTS, METHODS OF SYNTHESIS AND METHODS OF USE Altos Therapeutics, LLC (US) 2013-04-24 EP disclosed
US-20120010228-A1 D2 ANTAGONISTS, METHODS OF SYNTHESIS AND METHODS OF USE Altos Therapeutics, LLC 2012-01-12 US disclosed
WO-2011160084-A1 D2 ANTAGONISTS, METHODS OF SYNTHESIS AND METHODS OF USE Altos Therapeutics, LLC (US) 2011-12-22 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 (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 OPRM1 92/4885OPRD1 12/4885OPRK1 29/4885
US-20120010228-A1 D2 ANTAGONISTS, METHODS OF SYNTHESIS AND METHODS OF USE DRD2, DRD3, AVPR2 OPRM1 92/4885OPRD1 12/4885OPRK1 29/4885

“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.