SCHEMBL1036005

SCHEMBL1036005

CCOC(=O)N1CCc2nc(Cl)c(C#N)cc2C1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.47
KDM4E B2RXH2 10/20 0.44
MAPT P10636 9/20 0.44
GAA P10253 3/20 0.44
ALDH1A1 P00352 9/20 0.43
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
RAB9A P51151 2/20 0.43
HIF1A Q16665 1/20 0.42
LMNA P02545 5/20 0.41
ALOX12 P18054 2/20 0.41
PKM P14618 1/20 0.41
HPGD P15428 2/20 0.41
RECQL P46063 2/20 0.41
POLB P06746 2/20 0.41
DHFR P00374 1/20 0.40
USP2 O75604 2/20 0.39
ALOX15 P16050 2/20 0.39
GRM5 P41594 2/20 0.39
CYP1A2 P05177 1/20 0.39

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
SCHEMBL17985356 0.85 MAPT (0.52) SMN1; SMN2KDM4EMAPTGAAALDH1A1
SCHEMBL19664913 0.83 SMN1; SMN2 (0.54) SMN1; SMN2KDM4EMAPTGAAALDH1A1
SCHEMBL11086505 0.77 RAB9A (0.42) SMN1; SMN2MAPTGAAALDH1A1MEN1
SCHEMBL1033977 0.76 MAPT (0.39) SMN1; SMN2KDM4EMAPTGAAALDH1A1
SCHEMBL1036093 0.76 SMN1; SMN2 (0.60) SMN1; SMN2KDM4EMAPTGAAALDH1A1
SCHEMBL1040132 0.76 POLB (0.37) SMN1; SMN2KDM4EMAPTGAAALDH1A1
SCHEMBL4792734 0.74 ESR2 (0.47) SMN1; SMN2KDM4EMAPTGAAALDH1A1
SCHEMBL15926459 0.72 SMN1; SMN2 (0.44) SMN1; SMN2KDM4EGAAALDH1A1KMT2A
SCHEMBL1032037 0.71 ELANE (0.35) SMN1; SMN2KDM4EMAPTGAAALDH1A1
SCHEMBL11084786 0.71 SMN1; SMN2 (0.40) SMN1; SMN2KDM4EMAPTGAAALDH1A1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110046130-A1 TETRAHYDRONAPHTHYRIDINES AND AZA DERIVATIVES THEREOF AS HISTAMINE H3 RECEPTOR ANTAGONISTS EVOTEC AG (DE) 2011-02-24 US disclosed
US-20110046130-A1 TETRAHYDRONAPHTHYRIDINES AND AZA DERIVATIVES THEREOF AS HISTAMINE H3 RECEPTOR ANTAGONISTS EVOTEC AG (DE) 2011-02-24 US disclosed
US-20110046130-A1 TETRAHYDRONAPHTHYRIDINES AND AZA DERIVATIVES THEREOF AS HISTAMINE H3 RECEPTOR ANTAGONISTS EVOTEC AG (DE) 2011-02-24 US disclosed
EP-2268638-A1 TETRAHYDRONAPHTHYRIDINES AND AZA DERIVATIVES THEREOF AS HISTAMINE H3 RECEPTOR ANTAGONISTS Evotec AG (DE) 2011-01-05 EP disclosed
WO-2009121812-A1 TETRAHYDRONAPHTHYRIDINES AND AZA DERIVATIVES THEREOF AS HISTAMINE H3 RECEPTOR ANTAGONISTS EVOTEC NEUROSCIENCES GMBH (DE) 2009-10-08 WO disclosed
WO-2009121812-A1 TETRAHYDRONAPHTHYRIDINES AND AZA DERIVATIVES THEREOF AS HISTAMINE H3 RECEPTOR ANTAGONISTS EVOTEC NEUROSCIENCES GMBH (DE) 2009-10-08 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-20110046130-A1 TETRAHYDRONAPHTHYRIDINES AND AZA DERIVATIVES THEREOF AS HISTAMINE H3 RECEPTOR ANTAGONISTS HRH4, HRH3, HRH1 SMN1; SMN2 4504/4885KDM4E 467/4885MAPT 2721/4885

“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.