SCHEMBL1040132

SCHEMBL1040132

CCOC(=O)N1CCc2nc(Cl)c(C#N)cc2C1O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
KDM4E B2RXH2 10/20 0.36
ALDH1A1 P00352 9/20 0.36
MAPT P10636 4/20 0.36
GAA P10253 4/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
ALOX12 P18054 1/20 0.36
PKM P14618 1/20 0.35
HSD17B10 Q99714 3/20 0.35
HPGD P15428 4/20 0.35
CYP11B2 P19099 1/20 0.35
IDH1 O75874 1/20 0.35
LMNA P02545 4/20 0.34
L3MBTL1 Q9Y468 3/20 0.34
TDP1 Q9NUW8 1/20 0.34
TSHR P16473 1/20 0.34
MAPK1 P28482 1/20 0.34
CASP1 P29466 1/20 0.34

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
SCHEMBL1032037 0.84 ELANE (0.35) POLBSMN1; SMN2KDM4EALDH1A1MAPT
SCHEMBL1036005 0.76 SMN1; SMN2 (0.47) POLBSMN1; SMN2KDM4EALDH1A1MAPT
SCHEMBL1033977 0.75 MAPT (0.39) POLBSMN1; SMN2KDM4EALDH1A1MAPT
SCHEMBL4874531 0.66 KDM4E (0.60) SMN1; SMN2KDM4EALDH1A1MAPTGAA
SCHEMBL3227432 0.65 KDM4E (0.71) POLBSMN1; SMN2KDM4EALDH1A1MAPT
SCHEMBL1036093 0.64 SMN1; SMN2 (0.60) POLBSMN1; SMN2KDM4EALDH1A1MAPT
SCHEMBL4109638 0.63 L3MBTL1 (0.57) SMN1; SMN2KDM4EALDH1A1MAPTGAA
SCHEMBL3328003 0.62 KDM4E (0.55) POLBSMN1; SMN2KDM4EALDH1A1MAPT
SCHEMBL19664913 0.62 SMN1; SMN2 (0.54) POLBSMN1; SMN2KDM4EALDH1A1MAPT
SCHEMBL4112789 0.61 KDM4E (0.54) SMN1; SMN2KDM4EALDH1A1MAPTGAA

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 5 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

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 POLB 3946/4885SMN1; SMN2 4504/4885KDM4E 467/4885

“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.