SCHEMBL319406

SCHEMBL319406

O=C(O)c1ccccc1CN1CN(C2CCCCC2)C2(CCNCC2)C1=O

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BDKRB2 P30411 1/20 0.43
ALDH1A1 P00352 2/20 0.39
BRD4 O60885 4/20 0.38
SIRT1 Q96EB6 1/20 0.37
NPC1L1 Q9UHC9 1/20 0.36
KDM4E B2RXH2 1/20 0.35
EPHX2 P34913 1/20 0.35
FABP4 P15090 1/20 0.35
SLC6A9 P48067 1/20 0.35
SLC6A5 Q9Y345 1/20 0.35
CNR1 P21554 2/20 0.34
CNR2 P34972 2/20 0.34
HSD17B10 Q99714 1/20 0.34
HSD11B1 P28845 1/20 0.34

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
SCHEMBL318878 0.82 KCNH2 (0.46) BDKRB2ALDH1A1EPHX2HSD11B1
SCHEMBL9998421 0.80 BDKRB2 (0.47) BDKRB2NPC1L1HSD17B10
SCHEMBL9999121 0.78 MEN1 (0.44) BDKRB2
SCHEMBL318976 0.71 BDKRB2 (0.40) BDKRB2SIRT1NPC1L1EPHX2HSD11B1
SCHEMBL318845 0.69 OPRL1 (0.49) BDKRB2SIRT1NPC1L1HSD17B10
SCHEMBL318495 0.67 NPC1L1 (0.45) BDKRB2NPC1L1
SCHEMBL31518607 0.65 ALDH1A1 (0.61) ALDH1A1BRD4SIRT1KDM4E
SCHEMBL27416833 0.64 LMNA (0.55) ALDH1A1BRD4KDM4E
SCHEMBL1182205 0.64 SLC6A2 (0.51) ALDH1A1BRD4KDM4E
Hydrochloric Acid SCHEMBL6141847 0.63 LMNA (0.58) ALDH1A1BRD4KDM4E

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 BDKRB2 31/4885ALDH1A1 873/4885BRD4 1557/4885
US-20120010228-A1 D2 ANTAGONISTS, METHODS OF SYNTHESIS AND METHODS OF USE DRD2, DRD3, AVPR2 BDKRB2 31/4885ALDH1A1 873/4885BRD4 1557/4885

“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.