SCHEMBL2596090

SCHEMBL2596090

COc1ccc(CN2CCC3(CC2)COC3)c(OC)c1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.54
MAPK1 P28482 1/20 0.54
ALDH1A1 P00352 4/20 0.52
MAPT P10636 1/20 0.52
LMNA P02545 1/20 0.52
TSHR P16473 1/20 0.52
MEN1 O00255 4/20 0.51
KMT2A Q03164 4/20 0.51
POLB P06746 3/20 0.51
TDP1 Q9NUW8 2/20 0.50
GAA P10253 1/20 0.49
CYP2D6 P10635 3/20 0.48
USP2 O75604 2/20 0.48
SMN1; SMN2 Q16637 1/20 0.48

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
SCHEMBL21587706 0.82 KDM4E (0.64) KDM4EMAPK1ALDH1A1MAPTLMNA
SCHEMBL9831262 0.80 KDM4E (0.64) KDM4EMAPK1ALDH1A1MAPTLMNA
SCHEMBL28191688 0.79 KDM4E (0.63) KDM4EMAPK1ALDH1A1MAPTLMNA
SCHEMBL25988241 0.77 KDM4E (0.61) KDM4EMAPK1ALDH1A1MAPTLMNA
SCHEMBL9804694 0.77 KDM4E (0.61) KDM4EMAPK1ALDH1A1MAPTLMNA
SCHEMBL392360 0.76 CYP1A2 (0.62) KDM4EMAPK1ALDH1A1MAPTLMNA
SCHEMBL2226923 0.74 ALDH1A1 (0.62) KDM4EMAPK1ALDH1A1MAPTLMNA
SCHEMBL30657133 0.74 KDM4E (0.59) KDM4EMAPK1ALDH1A1MAPTLMNA
SCHEMBL2316528 0.74 KDM4E (0.77) KDM4EMAPK1ALDH1A1MAPTLMNA
SCHEMBL25637915 0.74 KDM4E (0.59) KDM4EMAPK1ALDH1A1MAPTLMNA

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-9718803-B2 Unsaturated nitrogen heterocyclic compounds useful as PDE10 inhibitors AMGEN INC. (US) 2017-08-01 US disclosed
US-20160102075-A1 UNSATURATED NITROGEN HETEROCYCLIC COMPOUNDS USEFUL AS PDE10 INHIBITORS AMGEN INC. (US) 2016-04-14 US disclosed
US-8957073-B2 Unsaturated nitrogen heterocyclic compounds useful as PDE10 inhibitors AMGEN INC. 2015-02-17 US disclosed
US-20140213572-A1 UNSATURATED NITROGEN HETEROCYCLIC COMPOUNDS USEFUL AS PDE10 INHIBITORS AMGEN INC. (US) 2014-07-31 US disclosed
EP-2569300-A1 NITROGEN HETEROCYCLIC COMPOUNDS USEFUL AS PDE10 INHIBITORS Amgen Inc. (US) 2013-03-20 EP disclosed
US-20110306587-A1 UNSATURATED NITROGEN HETEROCYCLIC COMPOUNDS USEFUL AS PDE10 INHIBITORS AMGEN INC. 2011-12-15 US disclosed
WO-2011143365-A1 NITROGEN HETEROCYCLIC COMPOUNDS USEFUL 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 (3 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-20140213572-A1 UNSATURATED NITROGEN HETEROCYCLIC COMPOUNDS USEFUL AS PDE10 INHIBITORS PDE10A, PDE2A, PDE3A KDM4E 3148/4885MAPK1 1417/4885ALDH1A1 526/4885
US-20160102075-A1 UNSATURATED NITROGEN HETEROCYCLIC COMPOUNDS USEFUL AS PDE10 INHIBITORS PDE10A, PDE2A, PDE3A KDM4E 3148/4885MAPK1 1417/4885ALDH1A1 526/4885
US-20110306587-A1 UNSATURATED NITROGEN HETEROCYCLIC COMPOUNDS USEFUL AS PDE10 INHIBITORS PDE10A, PDE2A, PDE3A KDM4E 3148/4885MAPK1 1417/4885ALDH1A1 526/4885

“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.