SCHEMBL5650331

SCHEMBL5650331

O=C(Oc1ccc(Oc2ccc(Cl)cn2)cc1)N1CCN(c2ncccn2)CC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 4/20 0.57
POLB P06746 1/20 0.54
TRPV1 Q8NER1 2/20 0.53
LIPE Q05469 7/20 0.51
CYP2C9 P11712 3/20 0.51
ALDH1A1 P00352 2/20 0.51
CYP3A4 P08684 2/20 0.51
MAPK1 P28482 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
CYP1A2 P05177 2/20 0.50
HPGD P15428 2/20 0.50
USP2 O75604 1/20 0.50
HSD17B10 Q99714 1/20 0.50
BCHE P06276 1/20 0.50
SLC6A7 Q99884 2/20 0.49
LMNA P02545 1/20 0.47
GAA P10253 1/20 0.47
CYP2D6 P10635 1/20 0.47
TSHR P16473 1/20 0.47
CYP2C19 P33261 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
SCHEMBL5715274 0.88 ALDH1A1 (0.54) TRPA1TRPV1LIPECYP2C9ALDH1A1
SCHEMBL5715413 0.86 SCN9A (0.54) TRPA1TRPV1LIPEBCHE
SCHEMBL5648808 0.84 LIPE (0.74) TRPA1TRPV1LIPECYP2C9CYP3A4
SCHEMBL6674263 0.81 LIPE (0.55) TRPA1LIPEBCHE
SCHEMBL5714705 0.81 TRPA1 (0.47) TRPA1TRPV1LIPEBCHE
SCHEMBL5715417 0.81 KDM4E (0.52) TRPA1LIPEALDH1A1MAPK1BCHE
SCHEMBL5714121 0.81 PANK3 (0.50) TRPA1TRPV1LIPEBCHE
SCHEMBL5714107 0.81 SCN9A (0.51) TRPA1TRPV1LIPEBCHE
SCHEMBL5649953 0.81 MGLL (0.56) LIPECYP2C9ALDH1A1CYP3A4MAPK1
SCHEMBL5715134 0.80 HRH3 (0.49) TRPA1LIPECYP2C9CYP3A4SMN1; 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 TRPA1 3925/4885POLB 3606/4885TRPV1 3837/4885
US-20030166690-A1 Use of compounds for decreasing activity of hormone-sensitive LIPE, PNLIP, LPL TRPA1 4160/4885POLB 2734/4885TRPV1 3664/4885

“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.