SCHEMBL2593450

SCHEMBL2593450

Cc1ccc(NC(=O)C2CN(C(=O)OC(C)(C)C)C2)c(N)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 4/20 0.48
HDAC2 Q92769 4/20 0.48
CYP1A2 P05177 1/20 0.48
POLB P06746 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2C19 P33261 1/20 0.48
KMT2A Q03164 3/20 0.47
GAA P10253 1/20 0.47
LMNA P02545 2/20 0.47
NPSR1 Q6W5P4 1/20 0.47
PTPN2 P17706 1/20 0.46
PTPN1 P18031 1/20 0.46
PTPN6 P29350 1/20 0.46
TSHR P16473 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
ABL1 P00519 1/20 0.43
RIN1 Q13671 1/20 0.43
EPHX2 P34913 1/20 0.42
HDAC3 O15379 2/20 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
SCHEMBL2596267 0.91 HDAC2 (0.56) HDAC1HDAC2CYP1A2POLBCYP3A4
SCHEMBL2595612 0.83 GAA (0.50) HDAC1HDAC2KMT2AGAALMNA
SCHEMBL2595484 0.81 HDAC2 (0.55) HDAC1HDAC2POLBKMT2APTPN2
SCHEMBL30344192 0.80 HDAC2 (0.46) HDAC1HDAC2CYP1A2POLBCYP3A4
SCHEMBL19385113 0.79 PTPN2 (0.52) HDAC1HDAC2POLBKMT2APTPN2
SCHEMBL12599501 0.78 NPSR1 (0.77) CYP1A2POLBCYP3A4CYP2C19KMT2A
SCHEMBL24330329 0.78 USP30 (0.48) HDAC1HDAC2KMT2APTPN2PTPN1
SCHEMBL29584699 0.78 USP30 (0.48) HDAC1HDAC2KMT2APTPN2PTPN1
SCHEMBL19385279 0.78 PTPN2 (0.58) HDAC1HDAC2PTPN2PTPN1PTPN6
SCHEMBL763205 0.78 HDAC2 (0.53) HDAC1HDAC2KMT2AGAAPTPN2

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 HDAC1 11/4885HDAC2 43/4885CYP1A2 698/4885

“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.