SCHEMBL319458

SCHEMBL319458

CS(=O)(=O)Nc1ccc(CN2CN(c3ccccc3)C3(CCN(C(=O)O)CC3)C2=O)cc1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
BDKRB2 P30411 1/20 0.48
NPC1L1 Q9UHC9 9/20 0.48
MEN1 O00255 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
KMT2A Q03164 1/20 0.47
OPRM1 P35372 3/20 0.44
OPRK1 P41145 3/20 0.44
OPRL1 P41146 3/20 0.44
OPRD1 P41143 2/20 0.44

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
SCHEMBL18574684 0.91 MEN1 (0.49) BDKRB2NPC1L1MEN1CYP3A4CYP2D6
SCHEMBL319932 0.89 NPC1L1 (0.55) NPC1L1MEN1CYP3A4CYP2D6CYP2C9
SCHEMBL319695 0.85 ADRB1 (0.43) BDKRB2NPC1L1MEN1CYP3A4CYP2D6
SCHEMBL318981 0.83 MEN1 (0.62) MEN1CYP3A4CYP2D6KMT2A
SCHEMBL319967 0.82 MEN1 (0.53) BDKRB2NPC1L1MEN1CYP3A4CYP2D6
SCHEMBL318853 0.81 OPRK1 (0.49) BDKRB2NPC1L1MEN1CYP3A4CYP2D6
SCHEMBL319102 0.79 BDKRB2 (0.48) BDKRB2NPC1L1MEN1CYP3A4CYP2D6
SCHEMBL18601926 0.78 DDR1 (0.45) BDKRB2NPC1L1CYP2C9OPRM1OPRK1
SCHEMBL318850 0.76 MEN1 (0.53) BDKRB2NPC1L1MEN1CYP3A4CYP2D6
SCHEMBL318831 0.76 CYP2D6 (0.43) BDKRB2NPC1L1MEN1CYP3A4CYP2D6

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 BDKRB2 31/4885NPC1L1 2825/4885MEN1 2011/4885
US-20120010228-A1 D2 ANTAGONISTS, METHODS OF SYNTHESIS AND METHODS OF USE DRD2, DRD3, AVPR2 BDKRB2 31/4885NPC1L1 2825/4885MEN1 2011/4885

“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.