SCHEMBL1032037

SCHEMBL1032037

C=CCC1c2cc(C#N)c(Cl)nc2CCN1C(=O)OCC

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 2/20 0.35
CTSG P08311 1/20 0.35
PKM P14618 1/20 0.34
POLB P06746 1/20 0.34
IDH1 O75874 2/20 0.34
KDM4E B2RXH2 8/20 0.33
ALDH1A1 P00352 7/20 0.33
MAPT P10636 3/20 0.33
GAA P10253 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
ALOX12 P18054 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HPGD P15428 5/20 0.33
L3MBTL1 Q9Y468 4/20 0.33
LMNA P02545 4/20 0.33
TDP1 Q9NUW8 2/20 0.33
CYP11B2 P19099 1/20 0.32
HSD17B10 Q99714 3/20 0.32
TSHR P16473 1/20 0.32

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
SCHEMBL1040132 0.84 POLB (0.37) PKMPOLBIDH1KDM4EALDH1A1
SCHEMBL1036005 0.71 SMN1; SMN2 (0.47) PKMPOLBKDM4EALDH1A1MAPT
SCHEMBL1037149 0.70 CYP2C19 (0.36) GAAMEN1KMT2ASMN1; SMN2
SCHEMBL1033977 0.70 MAPT (0.39) PKMPOLBKDM4EALDH1A1MAPT
SCHEMBL4874531 0.62 KDM4E (0.60) KDM4EALDH1A1MAPTGAAMEN1
SCHEMBL3227432 0.61 KDM4E (0.71) POLBKDM4EALDH1A1MAPTGAA
SCHEMBL31569408 0.61 POLB (0.39) POLBKDM4EMAPTMEN1KMT2A
SCHEMBL1036093 0.60 SMN1; SMN2 (0.60) PKMPOLBKDM4EALDH1A1MAPT
SCHEMBL4109638 0.59 L3MBTL1 (0.57) KDM4EALDH1A1MAPTGAAMEN1
SCHEMBL19664913 0.58 SMN1; SMN2 (0.54) PKMPOLBKDM4EALDH1A1MAPT

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 ELANE 1537/4885CTSG 4156/4885PKM 4639/4885

“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.