SCHEMBL318308

SCHEMBL318308

CC(C)(C)OC(=O)c1ccccc1CN1CN(c2ccc(F)cc2)C2(CCNCC2)C1=O

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPC1L1 Q9UHC9 2/20 0.40
MEN1 O00255 1/20 0.39
TP53 P04637 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
MAPT P10636 1/20 0.39
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39
CYP2C19 P33261 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
OPRL1 P41146 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
SCHEMBL318495 0.93 NPC1L1 (0.45) NPC1L1MEN1CYP3A4CYP2D6KMT2A
SCHEMBL9999121 0.86 MEN1 (0.44) MEN1TP53CYP1A2CYP3A4CYP2D6
SCHEMBL318591 0.83 NPC1L1 (0.45) NPC1L1MEN1TP53CYP1A2CYP3A4
SCHEMBL319332 0.82 MEN1 (0.48) NPC1L1MEN1TP53CYP1A2CYP3A4
SCHEMBL318845 0.82 OPRL1 (0.49) NPC1L1MEN1CYP3A4CYP2D6KMT2A
SCHEMBL318109 0.79 CYP3A4 (0.44) MEN1TP53CYP1A2CYP3A4CYP2D6
SCHEMBL318809 0.79 MEN1 (0.44) MEN1TP53CYP1A2CYP3A4CYP2D6
SCHEMBL318150 0.79 MEN1 (0.46) MEN1TP53CYP1A2CYP3A4CYP2D6
SCHEMBL9998421 0.79 BDKRB2 (0.47) NPC1L1MEN1CYP3A4CYP2D6KMT2A
SCHEMBL319185 0.78 MEN1 (0.43) MEN1TP53CYP1A2CYP3A4CYP2D6

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 NPC1L1 2825/4885MEN1 2011/4885TP53 3575/4885
US-20120010228-A1 D2 ANTAGONISTS, METHODS OF SYNTHESIS AND METHODS OF USE DRD2, DRD3, AVPR2 NPC1L1 2825/4885MEN1 2011/4885TP53 3575/4885

“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.