SCHEMBL2634044

SCHEMBL2634044

COc1ccc(CN(Cc2ccc(OC)cc2)C2CCC(O)CC2)cc1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.44
DRD2 P14416 1/20 0.43
APLNR P35414 1/20 0.42
ALDH1A1 P00352 1/20 0.42
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HTR2A P28223 1/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
PYCR1 P32322 1/20 0.41
GAA P10253 1/20 0.39
EPHX2 P34913 1/20 0.39
ACHE P22303 1/20 0.39
KCNA5 P22460 1/20 0.39
IDO1 P14902 1/20 0.39
CYP3A4 P08684 1/20 0.39

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
SCHEMBL9985197 1.00 L3MBTL1 (0.44) L3MBTL1DRD2APLNRALDH1A1HTT
SCHEMBL24423760 0.79 DRD2 (0.47) L3MBTL1DRD2APLNRALDH1A1HTT
SCHEMBL384229 0.78 YTHDC1 (0.55) ALDH1A1MEN1KMT2A
SCHEMBL23329339 0.78 YTHDC1 (0.55) ALDH1A1MEN1KMT2A
SCHEMBL384230 0.78 YTHDC1 (0.55) ALDH1A1MEN1KMT2A
SCHEMBL20871846 0.77 CNR1 (0.52) DRD2APLNRMEN1KMT2AEPHX2
SCHEMBL22340865 0.77 LTA4H (0.49) DRD2SMN1; SMN2MEN1KMT2AEPHX2
SCHEMBL16231832 0.77 DAO (0.41) L3MBTL1ALDH1A1SMN1; SMN2HTR2AMEN1
SCHEMBL23951718 0.76 SLC6A2 (0.53) L3MBTL1DRD2APLNRALDH1A1SMN1; SMN2
SCHEMBL3692058 0.75 KMT2A (0.58) ALDH1A1SMN1; SMN2KMT2ACYP3A4

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160280703-A1 Heteroaryloxycarbocyclyl Compounds as PDE 10 Inhibitors AMGEN INC. 2016-09-29 US disclosed
US-8952037-B2 Heteroaryloxycarbocyclyl compounds as PDE10 inhibitors AMGEN INC. (US) 2015-02-10 US disclosed
EP-2569306-A1 HETEROARYLOXYCARBOCYCLYL COMPOUNDS AS PDE10 INHIBITORS Amgen Inc. (US) 2013-03-20 EP disclosed
US-20110306591-A1 HETEROARYLOXYCARBOCYCLYL COMPOUNDS AS PDE10 INHIBITORS INC., AMGEN 2011-12-15 US disclosed
WO-2011143366-A1 HETEROARYLOXYCARBOCYCLYL COMPOUNDS AS PDE10 INHIBITORS AMGEN INC. (US) 2011-11-17 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-20110306591-A1 HETEROARYLOXYCARBOCYCLYL COMPOUNDS AS PDE10 INHIBITORS PDE10A, PDE9A, HDAC10 L3MBTL1 3881/4885DRD2 387/4885APLNR 3824/4885
US-20160280703-A1 Heteroaryloxycarbocyclyl Compounds as PDE 10 Inhibitors PDE10A, PDE9A, PDE7A L3MBTL1 3929/4885DRD2 412/4885APLNR 4010/4885

“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.