SCHEMBL1035111

SCHEMBL1035111

COC(=O)N1CCc2nc(Cl)ccc2C1O

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CHRNB4 P30926 3/20 0.37
CHRNA3 P32297 3/20 0.37
CYP2C19 P33261 2/20 0.36
CYP2C9 P11712 1/20 0.36
RORC P51449 3/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
TPH1 P17752 3/20 0.34
KDM4E B2RXH2 1/20 0.33
MTNR1A P48039 1/20 0.33
MTNR1B P49286 1/20 0.33
ABHD6 Q9BV23 1/20 0.33
ATR Q13535 1/20 0.32
ALDH1A1 P00352 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
SCHEMBL1036783 0.86 CHRNB4 (0.37) CHRNB4CHRNA3CYP2C19CYP2C9RORC
SCHEMBL1036260 0.83 CHRNB2 (0.33) MEN1KMT2ATPH1ABHD6
SCHEMBL1040899 0.83 CHRNB4 (0.35) CHRNB4CHRNA3CYP2C19CYP2C9RORC
SCHEMBL1037149 0.80 CYP2C19 (0.36) CHRNB4CHRNA3CYP2C19CYP2C9RORC
SCHEMBL31569434 0.73 MEN1 (0.38) MEN1KMT2AALDH1A1
SCHEMBL13671681 0.71 DRD1 (0.45) MEN1KMT2ATPH1MTNR1B
SCHEMBL12878928 0.70 KDM4E (0.49) CYP2C19MEN1KMT2ASMN1; SMN2CYP3A4
SCHEMBL1040442 0.70 ABHD6 (0.50) SMN1; SMN2ABHD6
SCHEMBL13671840 0.70 HHAT (0.38) MEN1KMT2A
SCHEMBL1036326 0.69 GRM5 (0.38) MEN1KMT2ASMN1; SMN2KDM4EABHD6

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 CHRNB4 139/4885CHRNA3 25/4885CYP2C19 1310/4885

“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.