SCHEMBL5647102

SCHEMBL5647102

O=C(Oc1ccc(-n2ccnc2)cc1)N1CCCCC1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.62
POLB P06746 1/20 0.62
CYP1A2 P05177 1/20 0.53
CYP2D6 P10635 1/20 0.53
CYP2C9 P11712 1/20 0.53
CYP2C19 P33261 1/20 0.53
HRH3 Q9Y5N1 1/20 0.53
KMT2A Q03164 6/20 0.52
MEN1 O00255 5/20 0.52
SMN1; SMN2 Q16637 4/20 0.52
LMNA P02545 2/20 0.52
NPSR1 Q6W5P4 1/20 0.52
HTT P42858 3/20 0.51
MAPT P10636 3/20 0.51
NPC1 O15118 3/20 0.51
RAB9A P51151 2/20 0.51
CYP3A4 P08684 1/20 0.48
BAZ2B Q9UIF8 1/20 0.48
HSD17B10 Q99714 1/20 0.47
MITF O75030 1/20 0.47

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
SCHEMBL5649609 0.87 CYP1A2 (0.57) ALDH1A1CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL5648810 0.81 ALDH1A1 (0.72) ALDH1A1POLBKMT2AMEN1SMN1; SMN2
SCHEMBL28864240 0.78 ALDH1A1 (0.76) ALDH1A1POLBCYP1A2CYP2D6CYP2C9
SCHEMBL3990221 0.77 CYP3A4 (0.55) CYP1A2CYP2D6CYP2C9CYP2C19HRH3
SCHEMBL17315098 0.77 CYP3A4 (0.64) ALDH1A1CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL4757507 0.77 CYP3A4 (0.55) CYP1A2CYP2D6CYP2C9CYP2C19LMNA
SCHEMBL5648319 0.76 ALDH1A1 (0.79) ALDH1A1POLBCYP1A2CYP2C9CYP2C19
SCHEMBL5648923 0.76 ALDH1A1 (0.79) ALDH1A1POLBCYP1A2CYP2C9CYP2C19
SCHEMBL27814146 0.76 CYP3A4 (0.55) ALDH1A1CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL30632968 0.76 ALDH1A1 (0.72) ALDH1A1POLBCYP1A2CYP2D6CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030166644-A1 Compounds and uses thereof for decreasing activity of hormone-sensitive lipase NOVO NORDISK A/S (DK) 2003-09-04 US 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
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

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 ALDH1A1 1304/4885POLB 3606/4885CYP1A2 1877/4885
US-20030166690-A1 Use of compounds for decreasing activity of hormone-sensitive LIPE, PNLIP, LPL ALDH1A1 1599/4885POLB 2734/4885CYP1A2 2155/4885

“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.