SCHEMBL7698244

SCHEMBL7698244

Cc1ccnc(N[C@H]2CC[C@H](O)CC2)c1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.71
KDM4E B2RXH2 1/20 0.71
L3MBTL1 Q9Y468 1/20 0.71
NOS1 P29475 3/20 0.56
NOS2 P35228 3/20 0.56
NOS3 P29474 1/20 0.56
MAPK14 Q16539 5/20 0.53
SYK P43405 1/20 0.52
PDE10A Q9Y233 1/20 0.48
MERTK Q12866 1/20 0.48
EGFR P00533 1/20 0.45
INSR P06213 1/20 0.45
LCK P06239 1/20 0.45
PDGFRB P09619 1/20 0.45
PDGFRA P16234 1/20 0.45
CDC7 O00311 1/20 0.44
MEN1 O00255 1/20 0.43
NPC1 O15118 1/20 0.43
TP53 P04637 1/20 0.43
TSHR P16473 1/20 0.43

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
SCHEMBL827883 0.92 ALDH1A1 (0.83) ALDH1A1KDM4EL3MBTL1NOS1NOS2
SCHEMBL15830498 0.85 ALDH1A1 (0.90) ALDH1A1KDM4EL3MBTL1NOS1NOS2
SCHEMBL13922609 0.85 KDM4E (0.97) ALDH1A1KDM4EL3MBTL1NOS1NOS2
SCHEMBL13922608 0.83 KDM4E (1.00) ALDH1A1KDM4EL3MBTL1NOS1NOS2
SCHEMBL828268 0.81 ALDH1A1 (0.71) ALDH1A1KDM4EL3MBTL1NOS1NOS2
SCHEMBL7828265 0.81 ALDH1A1 (0.71) ALDH1A1KDM4EL3MBTL1NOS1NOS2
SCHEMBL15830500 0.81 KDM4E (0.71) ALDH1A1KDM4EL3MBTL1NOS1NOS2
SCHEMBL26686620 0.81 MAPK14 (0.49) ALDH1A1KDM4EL3MBTL1MAPK14SYK
SCHEMBL26686618 0.81 MAPK14 (0.49) ALDH1A1KDM4EL3MBTL1MAPK14SYK
SCHEMBL19957553 0.78 ALDH1A1 (0.68) ALDH1A1KDM4EL3MBTL1NOS1NOS2

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
US-20160280703-A1 Heteroaryloxycarbocyclyl Compounds as PDE 10 Inhibitors AMGEN INC. 2016-09-29 US disclosed
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
US-8952037-B2 Heteroaryloxycarbocyclyl compounds as PDE10 inhibitors AMGEN INC. (US) 2015-02-10 US disclosed
US-20110306591-A1 HETEROARYLOXYCARBOCYCLYL COMPOUNDS AS PDE10 INHIBITORS INC., AMGEN 2011-12-15 US 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 ALDH1A1 1892/4885KDM4E 1788/4885L3MBTL1 3881/4885
US-20160280703-A1 Heteroaryloxycarbocyclyl Compounds as PDE 10 Inhibitors PDE10A, PDE9A, PDE7A ALDH1A1 1809/4885KDM4E 1588/4885L3MBTL1 3929/4885

“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.