SCHEMBL319018

SCHEMBL319018

O=C(O)c1ccc(N2CN(c3ccccc3)C3(CCNCC3)C2=O)cc1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DDR1 Q08345 9/20 0.49
HSD17B10 Q99714 2/20 0.49
NPC1L1 Q9UHC9 2/20 0.43
BDKRB2 P30411 1/20 0.41
ALDH1A1 P00352 2/20 0.40
DRD2 P14416 1/20 0.40
DRD4 P21917 1/20 0.40
HTR2A P28223 1/20 0.40
DRD3 P35462 1/20 0.40
OPRD1 P41143 2/20 0.39
CTSG P08311 1/20 0.39
CMA1 P23946 1/20 0.39
USP2 O75604 1/20 0.39
TSHR P16473 1/20 0.39
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
SCN2A Q99250 1/20 0.38

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
SCHEMBL20187016 0.91 HSD17B10 (0.57) DDR1HSD17B10NPC1L1BDKRB2OPRD1
SCHEMBL318906 0.84 NPC1L1 (0.44) DDR1HSD17B10NPC1L1BDKRB2
SCHEMBL20187023 0.84 DDR1 (0.55) DDR1HSD17B10NPC1L1BDKRB2OPRD1
SCHEMBL318680 0.82 NPC1L1 (0.48) HSD17B10NPC1L1BDKRB2OPRD1TSHR
SCHEMBL20187198 0.80 DDR1 (0.54) DDR1HSD17B10BDKRB2ALDH1A1DRD2
SCHEMBL319010 0.79 HSD17B10 (0.43) DDR1HSD17B10NPC1L1BDKRB2ALDH1A1
SCHEMBL7757908 0.79 HSD17B10 (0.54) DDR1HSD17B10NPC1L1BDKRB2ALDH1A1
SCHEMBL319163 0.78 OPRM1 (0.51) DDR1HSD17B10ALDH1A1CTSGCMA1
SCHEMBL9998840 0.77 NPC1L1 (0.47) NPC1L1BDKRB2OPRD1TSHR
SCHEMBL20187107 0.77 DDR1 (0.53) DDR1HSD17B10NPC1L1BDKRB2DRD2

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 DDR1 1466/4885HSD17B10 1611/4885NPC1L1 2825/4885
US-20120010228-A1 D2 ANTAGONISTS, METHODS OF SYNTHESIS AND METHODS OF USE DRD2, DRD3, AVPR2 DDR1 1466/4885HSD17B10 1611/4885NPC1L1 2825/4885

“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.