SCHEMBL2634045

SCHEMBL2634045

Cc1ccc(NC2CCC(O)CC2)nc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 3/20 0.54
MAPT P10636 1/20 0.51
RAB9A P51151 1/20 0.51
CYP11B1 P15538 1/20 0.50
CYP11B2 P19099 1/20 0.50
CCR6 P51684 2/20 0.48
EGFR P00533 1/20 0.47
INSR P06213 1/20 0.47
LCK P06239 1/20 0.47
PDGFRB P09619 1/20 0.47
PDGFRA P16234 1/20 0.47
BRD4 O60885 2/20 0.44
MAPK7 Q13164 2/20 0.44
POLB P06746 1/20 0.44
MERTK Q12866 1/20 0.44
PDE10A Q9Y233 2/20 0.43
CCNK O75909 1/20 0.43
CDK12 Q9NYV4 1/20 0.43
KDM4E B2RXH2 2/20 0.42
PIM1 P11309 1/20 0.41

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
SCHEMBL12030297 1.00 HCAR3 (0.54) HCAR3MAPTRAB9ACYP11B1CYP11B2
SCHEMBL827867 0.93 HCAR3 (0.56) HCAR3MAPTRAB9ACYP11B1CYP11B2
SCHEMBL7695405 0.86 RAB9A (0.51) HCAR3MAPTRAB9ACYP11B1CYP11B2
SCHEMBL7699105 0.86 RAB9A (0.51) HCAR3MAPTRAB9ACYP11B1CYP11B2
SCHEMBL10293542 0.86 HCAR3 (0.58) HCAR3MAPTRAB9ACYP11B1CYP11B2
SCHEMBL13115780 0.86 HCAR3 (0.58) HCAR3MAPTRAB9ACYP11B1CYP11B2
SCHEMBL15228235 0.85 HCAR3 (0.58) HCAR3MAPTRAB9ACYP11B1CYP11B2
SCHEMBL15228236 0.85 HCAR3 (0.58) HCAR3MAPTRAB9ACYP11B1CYP11B2
SCHEMBL15221643 0.85 CYP11B1 (0.49) HCAR3MAPTRAB9ACYP11B1CYP11B2
SCHEMBL15204865 0.85 CYP11B1 (0.49) HCAR3MAPTRAB9ACYP11B1CYP11B2

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 HCAR3 1870/4885MAPT 1456/4885RAB9A 217/4885
US-20160280703-A1 Heteroaryloxycarbocyclyl Compounds as PDE 10 Inhibitors PDE10A, PDE9A, PDE7A HCAR3 1941/4885MAPT 1652/4885RAB9A 241/4885

“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.