SCHEMBL317867

SCHEMBL317867

CC(C)(C)OC(=O)c1ccccc1CN1CN(c2ccccc2)C2(CCN(C(=O)OCc3ccccc3)CC2)C1=O

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NPC1L1 Q9UHC9 12/20 0.50
OPRK1 P41145 5/20 0.49
OPRM1 P35372 3/20 0.49
DRD5 P21918 1/20 0.48
OPRD1 P41143 1/20 0.48
HTR1A P08908 1/20 0.45
ADORA3 P0DMS8 1/20 0.45
HTR2C P28335 1/20 0.45
SLC6A3 Q01959 1/20 0.45
BDKRB2 P30411 1/20 0.43
OPRL1 P41146 1/20 0.42
AVPR1A P37288 1/20 0.42

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
SCHEMBL318591 0.94 NPC1L1 (0.45) NPC1L1OPRK1OPRM1DRD5OPRD1
SCHEMBL319383 0.87 NPC1L1 (0.55) NPC1L1OPRK1OPRM1DRD5OPRD1
SCHEMBL318479 0.86 NPC1L1 (0.47) NPC1L1OPRK1OPRM1DRD5OPRD1
SCHEMBL319005 0.86 NPC1L1 (0.57) NPC1L1BDKRB2OPRL1
SCHEMBL318463 0.86 NPC1L1 (0.51) NPC1L1OPRK1OPRM1DRD5OPRD1
SCHEMBL18601755 0.85 NPC1L1 (0.59) NPC1L1OPRK1OPRM1BDKRB2OPRL1
SCHEMBL318495 0.82 NPC1L1 (0.45) NPC1L1OPRK1OPRM1OPRD1BDKRB2
SCHEMBL5563023 0.82 NPC1L1 (0.64) NPC1L1OPRK1OPRM1OPRD1BDKRB2
SCHEMBL318485 0.81 OPRK1 (0.49) NPC1L1OPRK1OPRM1DRD5OPRD1
SCHEMBL318160 0.81 NPC1L1 (0.51) NPC1L1OPRK1OPRM1DRD5OPRD1

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 15 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
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-9156840-B2 D2 antagonists, methods of synthesis and methods of use Altos Therapeutics, LLC (US) 2015-10-13 US 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
US-20140350005-A1 D2 ANTAGONISTS, METHODS OF SYNTHESIS AND METHODS OF USE TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-11-27 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-8691836-B2 D2 antagonists, methods of synthesis and methods of use Altos Therapeutics, LLC (US) 2014-04-08 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
US-20120010228-A1 D2 ANTAGONISTS, METHODS OF SYNTHESIS AND METHODS OF USE Altos Therapeutics, LLC 2012-01-12 US 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 NPC1L1 2825/4885OPRK1 29/4885OPRM1 92/4885
US-20120010228-A1 D2 ANTAGONISTS, METHODS OF SYNTHESIS AND METHODS OF USE DRD2, DRD3, AVPR2 NPC1L1 2825/4885OPRK1 29/4885OPRM1 92/4885

“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.