SCHEMBL319341

SCHEMBL319341

CCOC(=O)CCCN1CN(c2ccccc2)C2(CCN(C(=O)OC(C)(C)C)CC2)C1=O

nearest known ligand 0.57

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NPC1L1 Q9UHC9 9/20 0.57
OPRM1 P35372 4/20 0.48
OPRK1 P41145 4/20 0.48
OPRL1 P41146 3/20 0.48
OPRD1 P41143 2/20 0.48
BDKRB2 P30411 1/20 0.48
CCR5 P51681 2/20 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
SCHEMBL8908168 0.97 NPC1L1 (0.56) NPC1L1OPRM1OPRK1OPRL1OPRD1
SCHEMBL17140929 0.89 NPC1L1 (0.65) NPC1L1OPRM1OPRK1OPRL1BDKRB2
SCHEMBL318821 0.88 NPC1L1 (0.57) NPC1L1OPRM1OPRK1OPRL1OPRD1
SCHEMBL318682 0.88 NPC1L1 (0.54) NPC1L1OPRM1OPRK1OPRL1OPRD1
SCHEMBL8893726 0.87 NPC1L1 (0.60) NPC1L1OPRM1OPRK1OPRL1OPRD1
SCHEMBL5102116 0.87 NPC1L1 (0.62) NPC1L1OPRM1OPRK1OPRL1OPRD1
SCHEMBL10248371 0.86 NPC1L1 (0.59) NPC1L1OPRM1OPRK1OPRL1OPRD1
Water SCHEMBL5142065 0.86 NPC1L1 (0.61) NPC1L1OPRM1OPRK1OPRL1OPRD1
Water SCHEMBL5142066 0.86 NPC1L1 (0.61) NPC1L1OPRM1OPRK1OPRL1OPRD1
SCHEMBL5108734 0.82 NPC1L1 (0.57) NPC1L1OPRM1OPRK1OPRL1OPRD1

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 2825/4885OPRM1 92/4885OPRK1 29/4885
US-20120010228-A1 D2 ANTAGONISTS, METHODS OF SYNTHESIS AND METHODS OF USE DRD2, DRD3, AVPR2 NPC1L1 2825/4885OPRM1 92/4885OPRK1 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.