SCHEMBL2631006

SCHEMBL2631006

O=CCC1CCN(c2cc(Cl)nnc2Cl)CC1

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
LMNA P02545 1/20 0.31
HTT P42858 1/20 0.31
DEGS1 O15121 2/20 0.31
GRM2 Q14416 1/20 0.31
FFAR4 Q5NUL3 1/20 0.30

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
SCHEMBL2592328 0.81 IRAK4 (0.37) LMNAHTT
SCHEMBL1751930 0.78 TYMP (0.40) CYP1A2CYP2D6LMNAHTTFFAR4
SCHEMBL2631005 0.72 LMNA (0.43) LMNAHTT
SCHEMBL2648429 0.72 CYP1A2 (0.46) CYP1A2LMNAHTT
SCHEMBL2646178 0.71 CYP1A2 (0.48) CYP1A2LMNAHTT
SCHEMBL30893809 0.71 CYP1A2 (0.48) CYP1A2LMNAHTT
SCHEMBL29829430 0.71 CHRM3 (0.35) CYP1A2CYP2D6LMNAHTT
SCHEMBL1751870 0.70 MAPT (0.42)
SCHEMBL1751834 0.69 CHEK2 (0.39) GRM2
SCHEMBL25270202 0.69 NOTUM (0.51) LMNAHTT

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-9376450-B2 Heteroaryloxyheterocyclyl compounds as PDE10 inhibitors AMGEN INC. (US) 2016-06-28 US disclosed
US-20130253186-A1 HETEROARYLOXYHETEROCYCLYL COMPOUNDS AS PDE10 INHIBITORS AMGEN INC. (US) 2013-09-26 US disclosed
EP-2569302-A1 HETEROARYLOXYHETEROCYCLYL COMPOUNDS AS PDE10 INHIBITORS Amgen, Inc (US) 2013-03-20 EP disclosed
WO-2011143495-A1 HETEROARYLOXYHETEROCYCLYL COMPOUNDS AS PDE10 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-20130253186-A1 HETEROARYLOXYHETEROCYCLYL COMPOUNDS AS PDE10 INHIBITORS PDE10A, PDE9A, PDE7A CYP1A2 1789/4885CYP2D6 1697/4885LMNA 4120/4885

“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.