SCHEMBL2596267

SCHEMBL2596267

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

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HDAC2 Q92769 10/20 0.56
HDAC1 Q13547 9/20 0.56
CYP1A2 P05177 1/20 0.51
POLB P06746 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2C19 P33261 1/20 0.51
LMNA P02545 2/20 0.49
NPSR1 Q6W5P4 1/20 0.49
HDAC3 O15379 4/20 0.48
PTPN2 P17706 1/20 0.46
PTPN1 P18031 1/20 0.46
PTPN6 P29350 1/20 0.46
KMT2A Q03164 3/20 0.45
GAA P10253 1/20 0.44
TSHR P16473 1/20 0.43
MEN1 O00255 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
SCHEMBL2593450 0.91 HDAC1 (0.48) HDAC2HDAC1CYP1A2POLBCYP3A4
SCHEMBL2595484 0.87 HDAC2 (0.55) HDAC2HDAC1POLBHDAC3PTPN2
SCHEMBL2590028 0.83 HDAC2 (0.51) HDAC2HDAC1LMNAHDAC3KMT2A
SCHEMBL30344192 0.80 HDAC2 (0.46) HDAC2HDAC1CYP1A2POLBCYP3A4
SCHEMBL739285 0.78 HDAC2 (0.60) HDAC2HDAC1HDAC3PTPN2PTPN1
SCHEMBL739286 0.78 HDAC2 (0.60) HDAC2HDAC1HDAC3PTPN2PTPN1
SCHEMBL4746151 0.77 HDAC1 (0.50) HDAC2HDAC1LMNANPSR1HDAC3
SCHEMBL15746271 0.77 GAA (0.67) HDAC2HDAC1LMNANPSR1HDAC3
SCHEMBL606031 0.77 ALDH1A1 (0.55) HDAC2HDAC1LMNANPSR1PTPN2
SCHEMBL3407965 0.77 HPGD (0.49) HDAC2HDAC1CYP1A2POLBCYP3A4

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 HDAC2 43/4885HDAC1 11/4885CYP1A2 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.