SCHEMBL10233103

SCHEMBL10233103

NCc1ccc(N2CCCCC2)cn1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.49
ALDH1A1 P00352 5/20 0.44
MEN1 O00255 2/20 0.44
GAA P10253 2/20 0.44
ALOX15 P16050 2/20 0.44
HTT P42858 2/20 0.44
KMT2A Q03164 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
KDM4E B2RXH2 2/20 0.44
NPC1 O15118 1/20 0.44
USP2 O75604 1/20 0.44
TP53 P04637 1/20 0.44
POLB P06746 1/20 0.44
THRB P10828 1/20 0.44
RECQL P46063 1/20 0.44
RAB9A P51151 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
HSD17B10 Q99714 1/20 0.44
CHRNB2 P17787 5/20 0.42
CHRNA4 P43681 5/20 0.42

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
SCHEMBL8194202 0.83 POLB (0.51) MAPTALDH1A1MEN1GAAALOX15
SCHEMBL28943557 0.83 MAPT (0.49) MAPTALDH1A1MEN1GAAHTT
SCHEMBL29493254 0.83 MAPT (0.49) MAPTALDH1A1MEN1GAAHTT
SCHEMBL17689141 0.82 MAPT (0.49) MAPTALDH1A1MEN1GAAALOX15
SCHEMBL23515039 0.81 DOT1L (0.42) MAP4K4
SCHEMBL23515036 0.80 NPC1 (0.45) MAPTALDH1A1HTTL3MBTL1KDM4E
SCHEMBL22919408 0.77 AOC3 (0.61) MAPTMEN1KMT2AAOC3
SCHEMBL823334 0.76 MAPT (0.53) MAPTALDH1A1MEN1GAAALOX15
SCHEMBL29353249 0.76 MAPT (0.53) MAPTALDH1A1MEN1GAAALOX15
SCHEMBL30486004 0.74 RXRA (0.42) CHRNB2CHRNA4

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
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-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
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 (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-20120040942-A1 NOVEL BRONCHODILATING DIAZAHETEROARYLS CHRM3, ADRB1, ADRB3 MAPT 4262/4885ALDH1A1 468/4885MEN1 3494/4885

“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.