SCHEMBL318802

SCHEMBL318802

CN(C)CCOC(=O)c1cccc(CN2CN(c3ccccc3)C3(CCNCC3)C2=O)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
CYP3A4 P08684 2/20 0.44
CYP2D6 P10635 2/20 0.44
MAPT P10636 2/20 0.44
TP53 P04637 1/20 0.44
CYP1A2 P05177 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
TDP1 Q9NUW8 1/20 0.41
CYP2C9 P11712 1/20 0.41
OPRL1 P41146 4/20 0.41
OPRM1 P35372 3/20 0.41
OPRD1 P41143 3/20 0.41
OPRK1 P41145 3/20 0.41
NPC1L1 Q9UHC9 1/20 0.40
DDR1 Q08345 3/20 0.40

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
SCHEMBL318953 0.89 MEN1 (0.47) MEN1KMT2ACYP3A4CYP2D6MAPT
SCHEMBL318817 0.88 MEN1 (0.44) MEN1KMT2ACYP3A4CYP2D6MAPT
SCHEMBL318706 0.88 KMT2A (0.47) MEN1KMT2ACYP3A4CYP2D6MAPT
SCHEMBL320054 0.87 MEN1 (0.49) MEN1KMT2ACYP3A4CYP2D6MAPT
SCHEMBL319313 0.85 MEN1 (0.46) MEN1KMT2ACYP3A4CYP2D6MAPT
SCHEMBL318213 0.85 MEN1 (0.43) MEN1KMT2ACYP3A4CYP2D6MAPT
SCHEMBL9999126 0.85 NPC1L1 (0.52) MEN1KMT2ACYP3A4CYP2D6MAPT
SCHEMBL319002 0.84 MEN1 (0.46) MEN1KMT2ACYP3A4CYP2D6MAPT
SCHEMBL10248501 0.84 MEN1 (0.50) MEN1KMT2ACYP3A4CYP2D6MAPT
SCHEMBL318592 0.84 KMT2A (0.51) MEN1KMT2ACYP3A4CYP2D6MAPT

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 MEN1 2011/4885KMT2A 2446/4885CYP3A4 659/4885
US-20120010228-A1 D2 ANTAGONISTS, METHODS OF SYNTHESIS AND METHODS OF USE DRD2, DRD3, AVPR2 MEN1 2011/4885KMT2A 2446/4885CYP3A4 659/4885

“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.