SCHEMBL5649609

SCHEMBL5649609

O=C(Oc1ccc(-n2ccnc2)cc1)N1CCOCC1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.57
CYP2C9 P11712 3/20 0.57
CYP2C19 P33261 3/20 0.57
CYP2D6 P10635 2/20 0.56
CYP3A4 P08684 1/20 0.56
KMT2A Q03164 5/20 0.54
SMN1; SMN2 Q16637 4/20 0.54
RAB9A P51151 2/20 0.54
KDM4E B2RXH2 1/20 0.54
NPC1 O15118 1/20 0.54
TSHR P16473 2/20 0.52
MEN1 O00255 2/20 0.52
CASP3 P42574 1/20 0.52
SENP7 Q9BQF6 1/20 0.52
MITF O75030 1/20 0.51
ALDH1A1 P00352 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
TP53 P04637 1/20 0.47
LIPE Q05469 1/20 0.46

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
SCHEMBL5647102 0.87 ALDH1A1 (0.62) CYP1A2CYP2C9CYP2C19CYP2D6CYP3A4
SCHEMBL5646586 0.82 KMT2A (0.65) CYP1A2CYP2C9CYP2C19KMT2ASMN1; SMN2
SCHEMBL2419713 0.76 CYP1A2 (0.68) CYP1A2CYP2C9CYP2C19KMT2ASMN1; SMN2
SCHEMBL5650663 0.75 CYP1A2 (0.66) CYP1A2CYP2C9CYP2C19KMT2ASMN1; SMN2
SCHEMBL4757507 0.75 CYP3A4 (0.55) CYP1A2CYP2C9CYP2C19CYP2D6CYP3A4
SCHEMBL17315098 0.75 CYP3A4 (0.64) CYP1A2CYP2C9CYP2C19CYP2D6CYP3A4
SCHEMBL3990221 0.75 CYP3A4 (0.55) CYP1A2CYP2C9CYP2C19CYP2D6CYP3A4
SCHEMBL1665144 0.74 CYP1A2 (0.68) CYP1A2CYP2C9CYP2C19KMT2ASMN1; SMN2
SCHEMBL5745544 0.73 CHRNA7 (0.60)
SCHEMBL8247308 0.73 CYP1A2 (1.00) CYP1A2CYP2C9CYP2C19KMT2ASMN1; SMN2

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
EP-1458374-A2 COMPOUNDS AND USES THEREOF FOR DECREASING ACTIVITY OF HORMONE-SENSITIVE LIPASE NOVO NORDISK A/S (DK) 2004-09-22 EP claimed
US-20030166644-A1 Compounds and uses thereof for decreasing activity of hormone-sensitive lipase NOVO NORDISK A/S (DK) 2003-09-04 US claimed
WO-2003051841-A2 COMPOUNDS AND USES THEREOF FOR DECREASING ACTIVITY OF HORMONE-SENSITIVE LIPASE NOVO NORDISK A/S (DK) 2003-06-26 WO claimed
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-7067517-B2 Use of compounds for decreasing activity of hormone-sensitive lipase NERO NORDISK A/S (DK) 2006-06-27 US 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
EP-1458375-A2 COMPOSITIONS 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-2003051842-A2 COMPOSITIONS DECREASING ACTIVITY OF HORMONE-SENSITIVE LIPASE NOVO NORDISK A/S (DK) 2003-06-26 WO 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

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-20030166644-A1 Compounds and uses thereof for decreasing activity of hormone-sensitive lipase LIPE, PNLIP, LPL CYP1A2 1877/4885CYP2C9 2983/4885CYP2C19 1948/4885
US-20030166690-A1 Use of compounds for decreasing activity of hormone-sensitive LIPE, PNLIP, LPL CYP1A2 2155/4885CYP2C9 3535/4885CYP2C19 2220/4885

“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.