SCHEMBL1036714

SCHEMBL1036714

CC1(C)[C]Nc2ccccc2O1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 3/20 0.40
PARP1 P09874 1/20 0.34
MAPT P10636 1/20 0.33
POLB P06746 1/20 0.32
HSD17B10 Q99714 1/20 0.32
BRD4 O60885 1/20 0.32
CREBBP Q92793 1/20 0.32
PDK2 Q15119 1/20 0.31
PDK4 Q16654 1/20 0.31
ALDH1A1 P00352 1/20 0.30
ALPL P05186 1/20 0.30

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
SCHEMBL1075961 0.72 GAA (0.35) ALOX5MAPTALDH1A1
SCHEMBL21795060 0.68 ALOX5 (0.44) ALOX5PARP1MAPTPOLBHSD17B10
SCHEMBL28707315 0.65 ALOX5 (0.41) ALOX5PARP1MAPTPOLBHSD17B10
SCHEMBL5960139 0.65 ALOX5 (0.41) ALOX5PARP1MAPTPOLBHSD17B10
SCHEMBL1450379 0.64 BRD4 (0.51) ALOX5PARP1MAPTPOLBHSD17B10
SCHEMBL19527518 0.64 ALOX5 (0.45) ALOX5PARP1MAPTPOLBHSD17B10
SCHEMBL30303079 0.64 GAA (0.40) ALOX5PARP1MAPTPOLBHSD17B10
SCHEMBL5671393 0.64 ALOX5 (0.45) ALOX5PARP1MAPTPOLBHSD17B10
SCHEMBL1555141 0.64 GAA (0.40) ALOX5PARP1MAPTPOLBHSD17B10
SCHEMBL4412218 0.64 PDK2 (0.42) MAPTPOLBHSD17B10CREBBPPDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2049514-B1 NITRATE ESTERS OF PIPERIDINES NOVARTIS AG (CH) 2011-01-26 EP disclosed
US-7687495-B2 Substituted piperidines SPEEDEL EXPERIMENTA AG (CH) 2010-03-30 US disclosed
US-20090325947-A1 NITRATE ESTERS OF PIPERIDINES NOVARTIS AG (CH) 2009-12-31 US disclosed
US-20090318432-A1 Nitrate esters of aminoalcohols SPEEDEL EXPERIMENTA AG (CH) 2009-12-24 US disclosed
US-20090306062-A1 2,5-Disubstituted Piperidines NOVARTIS AG (CH) 2009-12-10 US disclosed
WO-2009106599-A2 SUBSTITUTED PIPERIDINES AS THERAPEUTIC COMPOUNDS NOVARTIS AG (CH) 2009-09-03 WO disclosed
EP-2061751-A1 NITRATE ESTERS OF AMINOALCOHOLS Novartis Ag (CH) 2009-05-27 EP disclosed
EP-2049514-A1 NITRATE ESTERS OF PIPERIDINES Speedel Experimenta AG (CH) 2009-04-22 EP disclosed
EP-2044059-A1 2,5-DISUBSTITUTED PIPERIDINES Speedel Experimenta AG (CH) 2009-04-08 EP disclosed
US-20080171748-A1 Substituted piperidines NOVARTIS AG (CH) 2008-07-17 US disclosed
WO-2008031811-A1 NITRATE ESTERS OF AMINOALCOHOLS SPEEDEL EXPERIMENTA AG (CH) 2008-03-20 WO disclosed
WO-2008017685-A1 NITRATE ESTERS OF PIPERIDINES SPEEDEL EXPERIMENTA AG (CH) 2008-02-14 WO disclosed
WO-2007141318-A1 2,5-DISUBSTITUTED PIPERIDINES SPEEDEL EXPERIMENTA AG (CH) 2007-12-13 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 (4 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-20080171748-A1 Substituted piperidines REN, ACE, AGTR2 ALOX5 2252/4885PARP1 2401/4885MAPT 4219/4885
US-20090318432-A1 Nitrate esters of aminoalcohols NOS2, NOS1, NOS3 ALOX5 669/4885PARP1 3100/4885MAPT 4319/4885
US-20090306062-A1 2,5-Disubstituted Piperidines REN, AGTR1, AGTR2 ALOX5 2450/4885PARP1 1566/4885MAPT 4007/4885
US-20090325947-A1 NITRATE ESTERS OF PIPERIDINES NOS2, NOS1, NOS3 ALOX5 937/4885PARP1 763/4885MAPT 4794/4885

“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.