SCHEMBL318976

SCHEMBL318976

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

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BDKRB2 P30411 1/20 0.40
SLC7A5 Q01650 1/20 0.38
KCNH2 Q12809 1/20 0.36
HSD11B1 P28845 4/20 0.34
CHRM3 P20309 2/20 0.34
EPHX2 P34913 1/20 0.34
TP53 P04637 1/20 0.34
NPC1L1 Q9UHC9 3/20 0.33
KMT2A Q03164 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
SIRT2 Q8IXJ6 1/20 0.33
SIRT1 Q96EB6 1/20 0.33
PPM1D O15297 1/20 0.33
MEN1 O00255 1/20 0.32

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 0.86 KCNH2 (0.46) BDKRB2KCNH2HSD11B1EPHX2TP53
SCHEMBL18601829 0.85 KCNH2 (0.44) BDKRB2KCNH2TP53KMT2AMEN1
SCHEMBL316005 0.84 NPC1L1 (0.42) BDKRB2KCNH2NPC1L1
SCHEMBL318573 0.83 KCNH2 (0.56) KCNH2TP53KMT2AMEN1
SCHEMBL319002 0.81 MEN1 (0.46) BDKRB2SLC7A5TP53NPC1L1KMT2A
SCHEMBL319332 0.81 MEN1 (0.48) SLC7A5TP53NPC1L1KMT2AMEN1
SCHEMBL319997 0.81 MEN1 (0.57) KCNH2TP53KMT2AMEN1
SCHEMBL319344 0.80 LMNA (0.42) KCNH2TP53KMT2AMEN1
SCHEMBL319406 0.71 BDKRB2 (0.43) BDKRB2HSD11B1EPHX2NPC1L1SIRT1
SCHEMBL318505 0.71 NPC1L1 (0.49) BDKRB2NPC1L1KMT2ASIRT2SIRT1

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 14 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-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-9156840-B2 D2 antagonists, methods of synthesis and methods of use Altos Therapeutics, LLC (US) 2015-10-13 US 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
US-20140350005-A1 D2 ANTAGONISTS, METHODS OF SYNTHESIS AND METHODS OF USE TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-11-27 US disclosed
US-20140350005-A1 D2 ANTAGONISTS, METHODS OF SYNTHESIS AND METHODS OF USE TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-11-27 US disclosed
US-8691836-B2 D2 antagonists, methods of synthesis and methods of use Altos Therapeutics, LLC (US) 2014-04-08 US disclosed
US-8691836-B2 D2 antagonists, methods of synthesis and methods of use Altos Therapeutics, LLC (US) 2014-04-08 US disclosed
US-20120010228-A1 D2 ANTAGONISTS, METHODS OF SYNTHESIS AND METHODS OF USE Altos Therapeutics, LLC 2012-01-12 US disclosed
US-20120010228-A1 D2 ANTAGONISTS, METHODS OF SYNTHESIS AND METHODS OF USE Altos Therapeutics, LLC 2012-01-12 US 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 31/4885SLC7A5 1789/4885KCNH2 508/4885
US-20120010228-A1 D2 ANTAGONISTS, METHODS OF SYNTHESIS AND METHODS OF USE DRD2, DRD3, AVPR2 BDKRB2 31/4885SLC7A5 1789/4885KCNH2 508/4885

“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.