SCHEMBL318831

SCHEMBL318831

CS(=O)(=O)Nc1cccc(CN2CN(c3ccccc3)C3(CCNCC3)C2=O)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 4/20 0.43
CYP3A4 P08684 3/20 0.43
CYP1A2 P05177 3/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
CYP2C19 P33261 2/20 0.43
TP53 P04637 1/20 0.43
MAPT P10636 1/20 0.43
ALOX15 P16050 1/20 0.43
TSHR P16473 1/20 0.43
MAPK1 P28482 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CYP2C9 P11712 2/20 0.42
OPRM1 P35372 8/20 0.41
OPRD1 P41143 8/20 0.41
OPRK1 P41145 8/20 0.41
OPRL1 P41146 8/20 0.41
NR3C1 P04150 2/20 0.40
BDKRB2 P30411 1/20 0.40
HSD17B10 Q99714 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
SCHEMBL319695 0.90 ADRB1 (0.43) CYP2D6CYP3A4MEN1KMT2ACYP2C9
SCHEMBL18574684 0.86 MEN1 (0.49) CYP2D6CYP3A4CYP1A2MEN1KMT2A
SCHEMBL5556302 0.83 OPRM1 (0.53) CYP2D6CYP3A4CYP1A2MEN1KMT2A
SCHEMBL318853 0.81 OPRK1 (0.49) CYP2D6CYP3A4CYP1A2MEN1KMT2A
SCHEMBL10248501 0.80 MEN1 (0.50) CYP2D6CYP3A4CYP1A2MEN1KMT2A
SCHEMBL318592 0.80 KMT2A (0.51) CYP2D6CYP3A4CYP1A2MEN1KMT2A
SCHEMBL320054 0.80 MEN1 (0.49) CYP2D6CYP3A4CYP1A2MEN1KMT2A
SCHEMBL318482 0.78 MEN1 (0.49) CYP2D6CYP3A4CYP1A2MEN1KMT2A
SCHEMBL319010 0.77 HSD17B10 (0.43) OPRM1OPRD1OPRK1OPRL1BDKRB2
SCHEMBL318473 0.77 MEN1 (0.50) CYP2D6CYP3A4CYP1A2MEN1KMT2A

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 CYP2D6 250/4885CYP3A4 659/4885CYP1A2 364/4885
US-20120010228-A1 D2 ANTAGONISTS, METHODS OF SYNTHESIS AND METHODS OF USE DRD2, DRD3, AVPR2 CYP2D6 250/4885CYP3A4 659/4885CYP1A2 364/4885

“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.