SCHEMBL249409

SCHEMBL249409

NCc1ccc(C2CCOCC2)cc1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.41
KCNH2 Q12809 1/20 0.41
NCF1 P14598 1/20 0.39
LOXL2 Q9Y4K0 3/20 0.38
PRMT5 O14744 1/20 0.38
WDR77 Q9BQA1 1/20 0.38
ABAT P80404 1/20 0.37
SPHK1 Q9NYA1 1/20 0.37
HTR1D P28221 1/20 0.35
CTSC P53634 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
LTA4H P09960 1/20 0.35
CHRNA7 P36544 1/20 0.35
TAAR1 Q96RJ0 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
SCHEMBL27997311 0.89 PRMT5 (0.48) HRH3KCNH2NCF1LOXL2PRMT5
SCHEMBL4582740 0.85 HRH3 (0.48) HRH3LOXL2ABATSPHK1TAAR1
SCHEMBL10232991 0.81 HRH3 (0.44) HRH3LOXL2PRMT5WDR77ABAT
SCHEMBL11997346 0.81 HRH3 (0.44) HRH3LOXL2ABATSPHK1
SCHEMBL6025883 0.80 HRH3 (0.41) HRH3KCNH2SPHK1HTR1DCTSC
SCHEMBL30142570 0.80 HRH3 (0.41) HRH3KCNH2SPHK1HTR1DCTSC
SCHEMBL12733063 0.80 KCNH2 (0.41) HRH3KCNH2CTSC
SCHEMBL12603832 0.80 HRH3 (0.41) HRH3KCNH2SPHK1HTR1DCTSC
SCHEMBL19754734 0.79 HRH3 (0.42) HRH3LOXL2PRMT5WDR77ABAT
SCHEMBL22291710 0.79 F2 (0.44) HRH3KCNH2LOXL2PRMT5WDR77

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160185774-A1 Anti-Infective Compounds INSTITUT PASTEUR KOREA (KR) 2016-06-30 US disclosed
US-20160185774-A1 Anti-Infective Compounds INSTITUT PASTEUR KOREA (KR) 2016-06-30 US disclosed
CN-105669688-A Method for preparing hexahydropyrano-pyrimidone derivative by Br nsted acid ion liquid catalysis 安徽工业大学 2016-06-15 CN disclosed
WO-2015014993-A2 ANTI-INFECTIVE COMPOUNDS INSTITUT PASTEUR KOREA (KR) 2015-02-05 WO disclosed
EP-2401275-B1 NAPHTHYRIDINE DERIVATIVES HAVING BRONCHODILATING ACTIVITY RESPIRATORIUS AB (SE) 2013-07-24 EP disclosed
EP-2401275-B1 NAPHTHYRIDINE DERIVATIVES HAVING BRONCHODILATING ACTIVITY RESPIRATORIUS AB (SE) 2013-07-24 EP disclosed
US-8415333-B2 Bronchodilating diazaheteroaryls RESPIRATORIOUS AB (SE) 2013-04-09 US disclosed
US-8415333-B2 Bronchodilating diazaheteroaryls RESPIRATORIOUS AB (SE) 2013-04-09 US disclosed
US-8415333-B2 Bronchodilating diazaheteroaryls RESPIRATORIOUS AB (SE) 2013-04-09 US disclosed
US-20120040942-A1 NOVEL BRONCHODILATING DIAZAHETEROARYLS RESPIRATORIUS AB (SE) 2012-02-16 US disclosed
US-20120040942-A1 NOVEL BRONCHODILATING DIAZAHETEROARYLS RESPIRATORIUS AB (SE) 2012-02-16 US disclosed
US-20120040942-A1 NOVEL BRONCHODILATING DIAZAHETEROARYLS RESPIRATORIUS AB (SE) 2012-02-16 US disclosed
EP-2401275-A1 NOVEL BRONCHODILATING DIAZAHETEROARYLS Respiratorius AB (SE) 2012-01-04 EP disclosed
WO-2010097410-A1 NOVEL BRONCHODILATING DIAZAHETEROARYLS RESPIRATORIUS AB (SE) 2010-09-02 WO disclosed
WO-2010097410-A1 NOVEL BRONCHODILATING DIAZAHETEROARYLS RESPIRATORIUS AB (SE) 2010-09-02 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 (2 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-20120040942-A1 NOVEL BRONCHODILATING DIAZAHETEROARYLS CHRM3, ADRB1, ADRB3 HRH3 241/4885KCNH2 280/4885NCF1 495/4885
US-20160185774-A1 Anti-Infective Compounds RABGGTB, ELANE, SERPINB1 HRH3 2297/4885KCNH2 4455/4885NCF1 115/4885

“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.