SCHEMBL9998932

SCHEMBL9998932

CN(C)C(=O)COC(=O)c1cccc(CN2CN(c3ccccc3)C3(CCN(C(=O)OC(C)(C)C)CC3)C2=O)c1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPC1L1 Q9UHC9 13/20 0.52
DDR1 Q08345 4/20 0.44
MEN1 O00255 2/20 0.44
CYP3A4 P08684 2/20 0.44
CYP2D6 P10635 2/20 0.44
KMT2A Q03164 2/20 0.44
TP53 P04637 1/20 0.44
CYP1A2 P05177 1/20 0.44
MAPT P10636 1/20 0.44
ALOX15 P16050 1/20 0.44
TSHR P16473 1/20 0.44
MAPK1 P28482 1/20 0.44
CYP2C19 P33261 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
CYP2C9 P11712 1/20 0.41

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
SCHEMBL319273 0.93 NPC1L1 (0.51) NPC1L1DDR1MEN1CYP3A4CYP2D6
SCHEMBL319028 0.91 NPC1L1 (0.53) NPC1L1DDR1MEN1CYP3A4CYP2D6
SCHEMBL319931 0.91 DDR1 (0.47) NPC1L1DDR1MEN1CYP3A4CYP2D6
SCHEMBL318110 0.90 NPC1L1 (0.55) NPC1L1DDR1MEN1CYP3A4CYP2D6
SCHEMBL9999126 0.89 NPC1L1 (0.52) NPC1L1DDR1MEN1CYP3A4CYP2D6
SCHEMBL10248455 0.89 NPC1L1 (0.55) NPC1L1DDR1MEN1CYP3A4CYP2D6
SCHEMBL320092 0.88 NPC1L1 (0.57) NPC1L1DDR1MEN1CYP3A4CYP2D6
SCHEMBL318432 0.88 NPC1L1 (0.56) NPC1L1DDR1MEN1CYP3A4CYP2D6
SCHEMBL318225 0.87 NPC1L1 (0.59) NPC1L1DDR1MEN1CYP3A4CYP2D6
SCHEMBL10248363 0.86 NPC1L1 (0.58) NPC1L1DDR1MEN1CYP3A4CYP2D6

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 13 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
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-9156840-B2 D2 antagonists, methods of synthesis and methods of use Altos Therapeutics, LLC (US) 2015-10-13 US 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
US-20140350005-A1 D2 ANTAGONISTS, METHODS OF SYNTHESIS AND METHODS OF USE TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-11-27 US disclosed
US-20140350005-A1 D2 ANTAGONISTS, METHODS OF SYNTHESIS AND METHODS OF USE TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-11-27 US disclosed
US-8691836-B2 D2 antagonists, methods of synthesis and methods of use Altos Therapeutics, LLC (US) 2014-04-08 US disclosed
US-8691836-B2 D2 antagonists, methods of synthesis and methods of use Altos Therapeutics, LLC (US) 2014-04-08 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 2825/4885DDR1 1466/4885MEN1 2011/4885
US-20120010228-A1 D2 ANTAGONISTS, METHODS OF SYNTHESIS AND METHODS OF USE DRD2, DRD3, AVPR2 NPC1L1 2825/4885DDR1 1466/4885MEN1 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.