SCHEMBL3932289

SCHEMBL3932289

COC(=O)c1ccc2c(c1)NCC(C1CC1)O2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.46
NISCH Q9Y2I1 1/20 0.41
KMT2A Q03164 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
HPGD P15428 1/20 0.40
CYP2C19 P33261 1/20 0.40
HSD17B10 Q99714 2/20 0.40
ALOX15 P16050 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
ALDH1A1 P00352 2/20 0.40
LMNA P02545 1/20 0.40
CA12 O43570 2/20 0.38
CA9 Q16790 2/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA7 P43166 1/20 0.38
XDH P47989 1/20 0.38
CA14 Q9ULX7 1/20 0.38

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
SCHEMBL31751225 0.83 ALOX5 (0.49) ALOX5NISCHKMT2ACYP1A2CYP3A4
SCHEMBL34474927 0.82 ALOX5 (0.48) ALOX5NISCHKMT2ACYP1A2CYP3A4
SCHEMBL24378128 0.81 ALOX5 (0.47) ALOX5NISCHKMT2ACYP1A2CYP3A4
SCHEMBL18584331 0.81 ALOX5 (0.47) ALOX5NISCHKMT2ACYP1A2CYP3A4
SCHEMBL18581139 0.76 ALOX5 (0.43) ALOX5NISCHKMT2ACYP1A2CYP3A4
SCHEMBL24378127 0.76 HSD17B10 (0.47) ALOX5NISCHKMT2ACYP1A2CYP3A4
SCHEMBL7345036 0.73 ALDH1A1 (0.47) KMT2ACYP1A2CYP3A4CYP2C9HPGD
SCHEMBL751823 0.71 ALDH1A1 (0.54) ALOX5NISCHKMT2ACYP2C9HSD17B10
SCHEMBL31750464 0.71 ALDH1A1 (0.54) ALOX5NISCHKMT2ACYP2C9HSD17B10
SCHEMBL29940141 0.71 ALDH1A1 (0.54) ALOX5NISCHKMT2ACYP2C9HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-2044059-A1 2,5-DISUBSTITUTED PIPERIDINES Speedel Experimenta AG (CH) 2009-04-08 EP 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 (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-20090306062-A1 2,5-Disubstituted Piperidines REN, AGTR1, AGTR2 ALOX5 2450/4885NISCH 1295/4885KMT2A 3832/4885

“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.