SCHEMBL318592

SCHEMBL318592

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.51
CYP2D6 P10635 3/20 0.51
MEN1 O00255 2/20 0.51
CYP3A4 P08684 2/20 0.51
TP53 P04637 1/20 0.51
CYP1A2 P05177 1/20 0.51
MAPT P10636 1/20 0.51
ALOX15 P16050 1/20 0.51
TSHR P16473 1/20 0.51
MAPK1 P28482 1/20 0.51
CYP2C19 P33261 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
BDKRB2 P30411 1/20 0.45
NPC1L1 Q9UHC9 2/20 0.44
CYP2C9 P11712 2/20 0.44
OPRM1 P35372 2/20 0.43
OPRD1 P41143 2/20 0.43
OPRK1 P41145 2/20 0.43
OPRL1 P41146 2/20 0.43
HIF1A Q16665 1/20 0.42

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
SCHEMBL9998323 0.92 MEN1 (0.55) KMT2ACYP2D6MEN1CYP3A4TP53
SCHEMBL10248501 0.92 MEN1 (0.50) KMT2ACYP2D6MEN1CYP3A4TP53
SCHEMBL320054 0.89 MEN1 (0.49) KMT2ACYP2D6MEN1CYP3A4TP53
SCHEMBL318706 0.88 KMT2A (0.47) KMT2ACYP2D6MEN1CYP3A4TP53
SCHEMBL318680 0.88 NPC1L1 (0.48) KMT2ACYP2D6MEN1CYP3A4TP53
SCHEMBL319002 0.86 MEN1 (0.46) KMT2ACYP2D6MEN1CYP3A4TP53
SCHEMBL5556302 0.86 OPRM1 (0.53) KMT2ACYP2D6MEN1CYP3A4TP53
SCHEMBL319313 0.86 MEN1 (0.46) KMT2ACYP2D6MEN1CYP3A4TP53
SCHEMBL18601789 0.85 MEN1 (0.45) KMT2ACYP2D6MEN1CYP3A4TP53
SCHEMBL318627 0.84 MEN1 (0.44) KMT2ACYP2D6MEN1CYP3A4TP53

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 KMT2A 2446/4885CYP2D6 250/4885MEN1 2011/4885
US-20120010228-A1 D2 ANTAGONISTS, METHODS OF SYNTHESIS AND METHODS OF USE DRD2, DRD3, AVPR2 KMT2A 2446/4885CYP2D6 250/4885MEN1 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.