SCHEMBL2595535

SCHEMBL2595535

N#Cc1ccc2[nH]c(C3CCN(C(=O)O)CC3)nc2c1

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HTR2B P41595 9/20 0.48
PARP1 P09874 1/20 0.46
USP30 Q70CQ3 1/20 0.44
KCNH2 Q12809 1/20 0.44
NPY5R Q15761 1/20 0.44
FASN P49327 2/20 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
SCHEMBL2595486 0.93 USP30 (0.48) HTR2BPARP1USP30FASN
SCHEMBL2590023 0.88 HTR2B (0.47) HTR2BPARP1USP30KCNH2NPY5R
SCHEMBL2595515 0.84 GPR119 (0.54)
SCHEMBL2711762 0.83 GRIN2B (0.54) HTR2B
SCHEMBL7906028 0.82 HTR2B (0.51) HTR2B
SCHEMBL2590004 0.80 GPR119 (0.50) USP30FASN
SCHEMBL2595499 0.80 NPY5R (0.46) PARP1USP30KCNH2NPY5R
SCHEMBL4121296 0.79 HTR2B (0.72) HTR2B
Hydrochloric Acid SCHEMBL3706842 0.79 NPY5R (0.45) PARP1USP30KCNH2NPY5R
SCHEMBL30989225 0.79 USP30 (0.51) PARP1USP30KCNH2NPY5RFASN

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 HTR2B 150/4885PARP1 992/4885USP30 711/4885

“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.