SCHEMBL319010

SCHEMBL319010

CS(=O)(=O)Nc1ccc(N2CN(c3ccccc3)C3(CCNCC3)C2=O)cc1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.43
ADRB1 P08588 6/20 0.41
DDR1 Q08345 2/20 0.40
KEAP1 Q14145 1/20 0.39
HTR6 P50406 1/20 0.39
BDKRB2 P30411 1/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
GAA P10253 1/20 0.37
HPGD P15428 1/20 0.37
PGR P06401 1/20 0.36
PTGS2 P35354 1/20 0.36
OPRM1 P35372 1/20 0.36
OPRD1 P41143 1/20 0.36
OPRK1 P41145 1/20 0.36
OPRL1 P41146 1/20 0.36
NPC1L1 Q9UHC9 1/20 0.36
NR3C2 P08235 2/20 0.36

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 0.84 HSD17B10 (0.57) HSD17B10DDR1BDKRB2KDM4EGAA
SCHEMBL18601926 0.84 DDR1 (0.45) HSD17B10DDR1BDKRB2ALDH1A1GAA
SCHEMBL319695 0.83 ADRB1 (0.43) HSD17B10ADRB1BDKRB2OPRM1OPRD1
SCHEMBL318306 0.79 NPC1L1 (0.50) DDR1NPC1L1
SCHEMBL319018 0.79 DDR1 (0.49) HSD17B10DDR1BDKRB2ALDH1A1OPRD1
SCHEMBL20187023 0.78 DDR1 (0.55) HSD17B10DDR1BDKRB2GAAPGR
SCHEMBL318831 0.77 CYP2D6 (0.43) HSD17B10BDKRB2OPRM1OPRD1OPRK1
SCHEMBL319920 0.74 DRD2 (0.41) BDKRB2OPRM1OPRD1OPRK1OPRL1
SCHEMBL318679 0.74 OPRL1 (0.43) BDKRB2OPRM1OPRK1OPRL1
SCHEMBL20187198 0.74 DDR1 (0.54) HSD17B10ADRB1DDR1HTR6BDKRB2

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 HSD17B10 1611/4885ADRB1 34/4885DDR1 1466/4885
US-20120010228-A1 D2 ANTAGONISTS, METHODS OF SYNTHESIS AND METHODS OF USE DRD2, DRD3, AVPR2 HSD17B10 1611/4885ADRB1 34/4885DDR1 1466/4885

“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.