SCHEMBL318404

SCHEMBL318404

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

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NPC1L1 Q9UHC9 13/20 0.53
ATM Q13315 1/20 0.48
OPRM1 P35372 2/20 0.48
OPRD1 P41143 2/20 0.48
OPRK1 P41145 2/20 0.48
OPRL1 P41146 2/20 0.48
CCR5 P51681 2/20 0.45
USP30 Q70CQ3 1/20 0.42
DDR1 Q08345 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
SCHEMBL318942 1.00 NPC1L1 (0.53) NPC1L1ATMOPRM1OPRD1OPRK1
SCHEMBL318405 1.00 NPC1L1 (0.53) NPC1L1ATMOPRM1OPRD1OPRK1
SCHEMBL318664 0.89 OPRL1 (0.54) NPC1L1OPRM1OPRD1OPRK1OPRL1
SCHEMBL318945 0.88 OPRM1 (0.51) NPC1L1OPRM1OPRD1OPRK1OPRL1
SCHEMBL12338068 0.85 OPRM1 (0.59) NPC1L1ATMOPRM1OPRD1OPRK1
SCHEMBL319963 0.82 NPC1L1 (0.48) NPC1L1ATMOPRM1OPRD1OPRK1
SCHEMBL318086 0.81 OPRL1 (0.48) NPC1L1OPRM1OPRD1OPRK1OPRL1
SCHEMBL318391 0.81 OPRL1 (0.48) NPC1L1OPRM1OPRD1OPRK1OPRL1
SCHEMBL318087 0.81 OPRL1 (0.48) NPC1L1OPRM1OPRD1OPRK1OPRL1
SCHEMBL318533 0.81 OPRM1 (0.46) NPC1L1OPRM1OPRD1OPRK1OPRL1

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 2825/4885ATM 4273/4885OPRM1 92/4885
US-20120010228-A1 D2 ANTAGONISTS, METHODS OF SYNTHESIS AND METHODS OF USE DRD2, DRD3, AVPR2 NPC1L1 2825/4885ATM 4273/4885OPRM1 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.