SCHEMBL318878

SCHEMBL318878

O=C(O)c1cccc(CN2CN(C3CCCCC3)C3(CCNCC3)C2=O)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.46
CYP2D6 P10635 2/20 0.44
CYP2C9 P11712 1/20 0.44
HIF1A Q16665 1/20 0.44
BDKRB2 P30411 1/20 0.42
ALDH1A1 P00352 2/20 0.39
KMT2A Q03164 2/20 0.38
PPM1D O15297 1/20 0.38
EPHX2 P34913 1/20 0.38
PRKAG1 P54619 1/20 0.38
PRKAA2 P54646 1/20 0.38
PRKAB1 Q9Y478 1/20 0.38
OPRM1 P35372 1/20 0.38
OPRK1 P41145 1/20 0.38
OGFRL1 Q5TC84 1/20 0.38
P2RY2 P41231 1/20 0.37
ACMSD Q8TDX5 1/20 0.36
KMO O15229 1/20 0.36
PDE4A P27815 1/20 0.36
PDE4B Q07343 1/20 0.36

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
SCHEMBL318976 0.86 BDKRB2 (0.40) KCNH2BDKRB2KMT2APPM1DEPHX2
SCHEMBL319406 0.82 BDKRB2 (0.43) BDKRB2ALDH1A1EPHX2HSD11B1
Trazpiroben SCHEMBL29462314 0.81 KCNH2 (0.69) KCNH2CYP2D6KMT2AMEN1TP53
Trazpiroben SCHEMBL318454 0.81 KCNH2 (0.69) KCNH2CYP2D6KMT2AMEN1TP53
SCHEMBL318592 0.80 KMT2A (0.51) CYP2D6CYP2C9HIF1ABDKRB2ALDH1A1
SCHEMBL318711 0.79 MEN1 (0.64) KCNH2CYP2D6KMT2AMEN1TP53
SCHEMBL9998323 0.78 MEN1 (0.55) CYP2D6KMT2AMEN1TP53CYP1A2
Trazpiroben SCHEMBL29429986 0.78 KCNH2 (0.65) KCNH2CYP2D6KMT2AMEN1TP53
Trazpiroben SCHEMBL21958198 0.78 KCNH2 (0.65) KCNH2CYP2D6KMT2AMEN1TP53
SCHEMBL318646 0.78 KCNH2 (0.51) KCNH2CYP2D6CYP2C9HIF1AKMT2A

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 7 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-2582701-B1 D2 ANTAGONISTS, METHODS OF SYNTHESIS AND METHODS OF USE ALTOS THERAPEUTICS LLC (US) 2016-11-02 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 KCNH2 508/4885CYP2D6 250/4885CYP2C9 937/4885
US-20120010228-A1 D2 ANTAGONISTS, METHODS OF SYNTHESIS AND METHODS OF USE DRD2, DRD3, AVPR2 KCNH2 508/4885CYP2D6 250/4885CYP2C9 937/4885

“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.