SCHEMBL5648367

SCHEMBL5648367

Sc1nccn1-c1cccnc1

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 5/20 0.62
CYP3A4 P08684 3/20 0.62
CYP2E1 P05181 2/20 0.62
HTT P42858 1/20 0.41
PI4KA P42356 1/20 0.41
PI4K2B Q8TCG2 1/20 0.41
PI4K2A Q9BTU6 1/20 0.41
PI4KB Q9UBF8 1/20 0.41
ELANE P08246 1/20 0.40
CHRNB2 P17787 3/20 0.39
CHRNA4 P43681 3/20 0.39
EP300 Q09472 1/20 0.39
KAT2B Q92831 1/20 0.39
CYP11B2 P19099 1/20 0.37
ALDH1A1 P00352 1/20 0.37
CYP1A2 P05177 1/20 0.37

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
SCHEMBL353826 0.82 CYP3A4 (0.50) CYP2A6CYP3A4CYP2E1HTTALDH1A1
SCHEMBL2269279 0.80 CYP3A4 (0.49) CYP2A6CYP3A4CYP2E1HTTALDH1A1
SCHEMBL9802365 0.78 MAPK9 (0.37) CYP2A6CYP3A4CYP2E1ALDH1A1CYP1A2
SCHEMBL17844272 0.77 CYP2A6 (0.62) CYP2A6CYP3A4CYP2E1HTTPI4KA
SCHEMBL3609259 0.77 CYP2A6 (1.00) CYP2A6CYP3A4CYP2E1HTTPI4KA
SCHEMBL30855616 0.77 CYP2A6 (0.62) CYP2A6CYP3A4CYP2E1HTTPI4KA
SCHEMBL27358259 0.77 CYP2A6 (0.62) CYP2A6CYP3A4CYP2E1HTTPI4KA
SCHEMBL17153773 0.74 MAPK1 (0.51)
SCHEMBL9441444 0.74 CYP2A6 (0.58) CYP2A6CYP3A4CYP2E1HTTPI4KA
SCHEMBL9441448 0.74 CYP2A6 (0.58) CYP2A6CYP3A4CYP2E1HTTPI4KA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7279470-B2 Compounds and uses thereof for decreasing activity of hormone-sensitive lipase NOVO NORDISK A/S (DK) 2007-10-09 US disclosed
US-20060160851-A1 Substituted piperidine carbamates NOVO NORDISK A/S (DK) 2006-07-20 US disclosed
US-7067517-B2 Use of compounds for decreasing activity of hormone-sensitive lipase NERO NORDISK A/S (DK) 2006-06-27 US disclosed
EP-1636207-A1 SUBSTITUTED PIPERIDINE CARBAMATES FOR USE AS INHIBITORS OF HORMONE SENSITIVE LIPASE NOVO NORDISK A/S (DK) 2006-03-22 EP disclosed
WO-2004111032-A1 SUBSTITUTED PIPERIDINE CARBAMATES FOR USE AS INHIBITORS OF HORMONE SENSITIVE LIPASE NOVO NORDISK A/S (DK) 2004-12-23 WO disclosed
EP-1458375-A2 COMPOSITIONS FOR DECREASING ACTIVITY OF HORMONE-SENSITIVE LIPASE NOVO NORDISK A/S (DK) 2004-09-22 EP disclosed
EP-1458374-A2 COMPOUNDS AND USES THEREOF FOR DECREASING ACTIVITY OF HORMONE-SENSITIVE LIPASE NOVO NORDISK A/S (DK) 2004-09-22 EP disclosed
US-20030166644-A1 Compounds and uses thereof for decreasing activity of hormone-sensitive lipase NOVO NORDISK A/S (DK) 2003-09-04 US disclosed
US-20030166690-A1 Use of compounds for decreasing activity of hormone-sensitive NOVO NORDISK A/S (DK) 2003-09-04 US disclosed
WO-2003051841-A2 COMPOUNDS AND USES THEREOF FOR DECREASING ACTIVITY OF HORMONE-SENSITIVE LIPASE NOVO NORDISK A/S (DK) 2003-06-26 WO disclosed
WO-2003051842-A2 COMPOSITIONS DECREASING ACTIVITY OF HORMONE-SENSITIVE LIPASE NOVO NORDISK A/S (DK) 2003-06-26 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 (3 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-20060160851-A1 Substituted piperidine carbamates LIPE, PNLIP, LIPC CYP2A6 1419/4885CYP3A4 1516/4885CYP2E1 1314/4885
US-20030166644-A1 Compounds and uses thereof for decreasing activity of hormone-sensitive lipase LIPE, PNLIP, LPL CYP2A6 1210/4885CYP3A4 2474/4885CYP2E1 2638/4885
US-20030166690-A1 Use of compounds for decreasing activity of hormone-sensitive LIPE, PNLIP, LPL CYP2A6 1108/4885CYP3A4 2867/4885CYP2E1 2589/4885

“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.