SCHEMBL2595484

SCHEMBL2595484

CC(C)(C)OC(=O)N1CC(C(=O)Nc2cc(Cl)ccc2N)C1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HDAC2 Q92769 8/20 0.55
HDAC1 Q13547 7/20 0.55
HDAC3 O15379 2/20 0.47
USP30 Q70CQ3 1/20 0.47
STS P08842 3/20 0.45
PTPN2 P17706 1/20 0.45
PTPN1 P18031 1/20 0.45
PTPN6 P29350 1/20 0.45
KMT2A Q03164 2/20 0.43
NTRK1 P04629 1/20 0.43
MEN1 O00255 1/20 0.43
POLB P06746 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
SCHEMBL2596267 0.87 HDAC2 (0.56) HDAC2HDAC1HDAC3PTPN2PTPN1
SCHEMBL16426976 0.86 PARP1 (0.48) HDAC2HDAC1USP30STSPTPN2
SCHEMBL31079669 0.86 PARP1 (0.48) HDAC2HDAC1USP30STSPTPN2
SCHEMBL2593450 0.81 HDAC1 (0.48) HDAC2HDAC1HDAC3USP30PTPN2
SCHEMBL3334201 0.79 HDAC1 (0.67) HDAC2HDAC1HDAC3KMT2A
SCHEMBL15711485 0.78 ANO1 (0.50) USP30STSPTPN2PTPN1PTPN6
SCHEMBL23149216 0.77 NTRK1 (0.55) HDAC2HDAC1USP30STSPTPN2
SCHEMBL29616628 0.77 NTRK1 (0.55) HDAC2HDAC1USP30STSPTPN2
SCHEMBL4635461 0.77 ALDH1A1 (0.56) HDAC2HDAC1USP30STSPTPN2
SCHEMBL30344192 0.77 HDAC2 (0.46) HDAC2HDAC1HDAC3PTPN2PTPN1

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 4 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
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
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 11/4885HDAC3 28/4885

“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.