SCHEMBL318495

SCHEMBL318495

CC(C)(C)OC(=O)c1ccccc1CN1CN(c2ccccc2)C2(CCNCC2)C1=O

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NPC1L1 Q9UHC9 12/20 0.45
BDKRB2 P30411 1/20 0.44
OPRL1 P41146 2/20 0.43
MEN1 O00255 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
KMT2A Q03164 1/20 0.40
OPRM1 P35372 1/20 0.39
OPRD1 P41143 1/20 0.39
OPRK1 P41145 1/20 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
SCHEMBL318308 0.93 NPC1L1 (0.40) NPC1L1OPRL1MEN1CYP3A4CYP2D6
SCHEMBL318845 0.89 OPRL1 (0.49) NPC1L1BDKRB2OPRL1MEN1CYP3A4
SCHEMBL9998421 0.86 BDKRB2 (0.47) NPC1L1BDKRB2OPRL1MEN1CYP3A4
SCHEMBL318505 0.85 NPC1L1 (0.49) NPC1L1BDKRB2OPRL1MEN1CYP3A4
SCHEMBL319455 0.83 HSD17B10 (0.42) NPC1L1BDKRB2OPRL1OPRM1OPRD1
SCHEMBL317867 0.82 NPC1L1 (0.50) NPC1L1BDKRB2OPRL1OPRM1OPRD1
SCHEMBL319002 0.82 MEN1 (0.46) NPC1L1BDKRB2OPRL1MEN1CYP3A4
SCHEMBL319005 0.81 NPC1L1 (0.57) NPC1L1BDKRB2OPRL1
SCHEMBL318667 0.81 MEN1 (0.57) MEN1CYP3A4CYP2D6KMT2A
SCHEMBL18601755 0.80 NPC1L1 (0.59) NPC1L1BDKRB2OPRL1OPRM1OPRK1

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 NPC1L1 2825/4885BDKRB2 31/4885OPRL1 28/4885
US-20120010228-A1 D2 ANTAGONISTS, METHODS OF SYNTHESIS AND METHODS OF USE DRD2, DRD3, AVPR2 NPC1L1 2825/4885BDKRB2 31/4885OPRL1 28/4885

“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.