SCHEMBL2595653

SCHEMBL2595653

Cc1ccc2[nH]c(C3CN(C(=O)OC(C)(C)C)C3)nc2c1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 2/20 0.45
ALDH1A1 P00352 1/20 0.44
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
LMNA P02545 2/20 0.43
PTGES O14684 1/20 0.43
KDM4E B2RXH2 3/20 0.43
HTR2B P41595 1/20 0.42
MAPK1 P28482 1/20 0.42
PIK3CA P42336 1/20 0.40
GPR119 Q8TDV5 2/20 0.40
USP2 O75604 1/20 0.40
SSTR4 P31391 1/20 0.40
MEN1 O00255 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
KMT2A Q03164 1/20 0.39
HPGDS O60760 1/20 0.39
L3MBTL1 Q9Y468 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
SCHEMBL17109171 0.89 USP2 (0.49) ALDH1A1NPC1RAB9ALMNAKDM4E
SCHEMBL2590013 0.88 GLA (0.46) BACE1ALDH1A1LMNAPTGESKDM4E
SCHEMBL12026585 0.86 KDM4E (0.41) BACE1PTGESKDM4EHTR2BSSTR4
SCHEMBL2596279 0.85 GPR119 (0.46) PTGESKDM4EHTR2BGPR119
SCHEMBL24067409 0.85 HTR2B (0.59) HTR2BMAPT
SCHEMBL2595525 0.83 HTR2B (0.50) ALDH1A1NPC1RAB9ALMNAKDM4E
SCHEMBL13255599 0.81 L3MBTL1 (0.50) LMNAPTGESMAPTL3MBTL1
SCHEMBL20444734 0.81 CHEK2 (0.44) BACE1ALDH1A1KDM4EHTR2B
SCHEMBL25156526 0.80 PTGES (0.42) BACE1LMNAPTGESKDM4EMEN1
SCHEMBL31359929 0.80 PTGES (0.42) BACE1LMNAPTGESKDM4EMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8946230-B2 Aryl- and heteroaryl- nitrogen-heterocyclic compounds as PDE10 inhibitors AMGEN INC. (US) 2015-02-03 US disclosed
US-8946230-B2 Aryl- and heteroaryl- nitrogen-heterocyclic compounds as PDE10 inhibitors AMGEN INC. (US) 2015-02-03 US disclosed
US-8946230-B2 Aryl- and heteroaryl- nitrogen-heterocyclic compounds as PDE10 inhibitors AMGEN INC. (US) 2015-02-03 US disclosed
EP-2569299-A1 NITROGEN- HETEROCYCLIC COMPOUNDS AS PHOSPHODIESTERASE 10 INHIBITORS Amgen Inc. (US) 2013-03-20 EP disclosed
US-20110306590-A1 ARYL- AND HETEROARYL- NITROGEN-HETEROCYCLIC COMPOUNDS AS PDE10 INHIBITORS AMGEN INC. 2011-12-15 US disclosed
US-20110306590-A1 ARYL- AND HETEROARYL- NITROGEN-HETEROCYCLIC COMPOUNDS AS PDE10 INHIBITORS AMGEN INC. 2011-12-15 US disclosed
US-20110306590-A1 ARYL- AND HETEROARYL- NITROGEN-HETEROCYCLIC COMPOUNDS AS PDE10 INHIBITORS AMGEN INC. 2011-12-15 US disclosed
WO-2011143129-A1 NITROGEN- HETEROCYCLIC COMPOUNDS AS PHOSPHODIESTERASE 10 INHIBITORS AMGEN INC. (US) 2011-11-17 WO disclosed
WO-2011143129-A1 NITROGEN- HETEROCYCLIC COMPOUNDS AS PHOSPHODIESTERASE 10 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 (1 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-20110306590-A1 ARYL- AND HETEROARYL- NITROGEN-HETEROCYCLIC COMPOUNDS AS PDE10 INHIBITORS HDAC10, PDE10A, PDE9A BACE1 286/4885ALDH1A1 1019/4885NPC1 1574/4885

“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.