SCHEMBL2012313

SCHEMBL2012313

[CH2]CCN1CC(C)CC(C)C1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.41
HRH4 Q9H3N8 1/20 0.41
KDM4E B2RXH2 6/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
MAOB P27338 1/20 0.38
KMT2A Q03164 4/20 0.37
MEN1 O00255 2/20 0.37
ALDH1A1 P00352 3/20 0.36
POLB P06746 1/20 0.36
THRB P10828 1/20 0.36
LMNA P02545 2/20 0.34
RAB9A P51151 1/20 0.34
HTR7 P34969 4/20 0.34
TDP1 Q9NUW8 1/20 0.33

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
SCHEMBL9797183 0.84 HTR7 (0.41) HRH3HRH4KDM4ESMN1; SMN2MAOB
SCHEMBL7372385 0.79 HRH3 (0.43) HRH3HRH4KDM4ESMN1; SMN2MAOB
SCHEMBL4291597 0.79 HRH3 (0.43) HRH3HRH4KDM4ESMN1; SMN2MAOB
SCHEMBL2008948 0.79 GBA1 (0.38)
SCHEMBL20746957 0.77 HRH3 (0.42) HRH3HRH4KDM4ESMN1; SMN2MAOB
SCHEMBL12741437 0.77 HRH3 (0.42) HRH3HRH4KDM4ESMN1; SMN2MAOB
SCHEMBL19275193 0.77 HRH3 (0.42) HRH3HRH4KDM4ESMN1; SMN2MAOB
SCHEMBL2099496 0.76
SCHEMBL2099639 0.76
SCHEMBL735708 0.76

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2139472-B1 TETRAHYDROINDOLE DERIVATIVES AS NADPH OXIDASE INHIBITORS GENKYOTEX SA (CH) 2016-01-13 EP disclosed
US-8288432-B2 Tetrahydroindole derivatives as NADPH oxidase inhibitors GENKYOTEX SA (CH) 2012-10-16 US disclosed
US-7960394-B2 3,8-dimethyl-2-[4-(3-piperidin-1-ylpropoxy)phenyl]-4(3H)-quinazolinone; 6-chloro-3-methyl-2-[4-(3-piperidin-1-ylpropoxy)phenyl]pyrido[3,4-d]-pyrimidin-4(3H)-one; 2-[4-(1-cyclopentyl-4-piperidinyloxy)phenyl]-3-methylpyrido[2,3-d]-pyrimidin-4(3H)-one; treats metabolic, nervous system, vascular disorders BANYU PHARMACEUTICAL CO., LTD. (JP) 2011-06-14 US disclosed
US-20100120749-A1 TETRAHYDROINDOLE DERIVATIVES AS NADPH OXIDASE INHIBITORS GENKYO TEX SA (CH) 2010-05-13 US disclosed
EP-2139472-A1 TETRAHYDROINDOLE DERIVATIVES AS NADPH OXIDASE INHIBITORS GENKYO TEX SA (CH) 2010-01-06 EP disclosed
EP-2000176-A1 Tetrahydroindole derivatives as NADPH Oxidase inhibitors GenKyo Tex (CH) 2008-12-10 EP disclosed
US-20080275069-A1 Quinazoline Derivative MSD K.K. (JP) 2008-11-06 US disclosed
WO-2008116926-A1 TETRAHYDROINDOLE DERIVATIVES AS NADPH OXIDASE INHIBITORS GENKYO TEX SA (CH) 2008-10-02 WO disclosed
EP-1757594-A1 QUINAZOLINE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2007-02-28 EP 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-20100120749-A1 TETRAHYDROINDOLE DERIVATIVES AS NADPH OXIDASE INHIBITORS CYBB, NQO1, NOX4 HRH3 742/4885HRH4 502/4885KDM4E 3163/4885
US-20080275069-A1 Quinazoline Derivative HRH3, HRH4, HRH2 HRH3 1/4885HRH4 2/4885KDM4E 3385/4885

“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.