SCHEMBL5714531

SCHEMBL5714531

O=C(Oc1ccc(CCSc2ccccn2)cc1)N1CCN(c2ccc(Cl)cn2)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 3/20 0.48
ALDH1A1 P00352 7/20 0.47
SMN1; SMN2 Q16637 4/20 0.47
TRPV1 Q8NER1 2/20 0.45
ME2 P23368 3/20 0.45
ME1 P48163 3/20 0.45
ME3 Q16798 3/20 0.45
HSD17B10 Q99714 5/20 0.44
TSHR P16473 3/20 0.44
CYP3A4 P08684 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
MAPK1 P28482 1/20 0.44
CYP2C19 P33261 1/20 0.44
PANK3 Q9H999 1/20 0.44
LMNA P02545 2/20 0.43
HPGD P15428 2/20 0.43
GAA P10253 1/20 0.43
MAPT P10636 1/20 0.43
KDM4E B2RXH2 1/20 0.43

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
SCHEMBL5714765 0.90 ALDH1A1 (0.55) ALDH1A1SMN1; SMN2HSD17B10TSHRCYP3A4
SCHEMBL5715233 0.89 ME2 (0.45) ALDH1A1SMN1; SMN2ME2ME1ME3
SCHEMBL5714578 0.89 KDM4E (0.47) ALDH1A1SMN1; SMN2ME2ME1ME3
SCHEMBL5714395 0.88 HSD17B10 (0.46) ALDH1A1SMN1; SMN2ME2ME1ME3
SCHEMBL5714407 0.88 HSD17B10 (0.46) ALDH1A1SMN1; SMN2ME2ME1ME3
SCHEMBL5714592 0.87 HTT (0.54) TRPA1ALDH1A1SMN1; SMN2TRPV1LMNA
SCHEMBL5714517 0.86 ME2 (0.46) TRPA1TRPV1ME2ME1ME3
SCHEMBL5714937 0.84 TRPA1 (0.49) TRPA1ALDH1A1SMN1; SMN2TRPV1ME2
SCHEMBL5715038 0.84 ME2 (0.43) TRPA1TRPV1ME2ME1ME3
SCHEMBL5904307 0.83 ALDH1A1 (0.45) TRPA1ALDH1A1SMN1; SMN2TRPV1ME2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060160819-A1 Substitued piperazine carbamates NOVO NORDISK A/S (DK) 2006-07-20 US claimed
EP-1636189-A1 1-ARYL-4-(ARYLOXYCARBONYL)-PIPERAZINE DERIVATIVES FOR USE AS INHIBITORS OF HORMONE SENSITIVE LIPASE NOVO NORDISK A/S (DK) 2006-03-22 EP claimed
WO-2004111007-A1 1-ARYL-4-(ARYLOXYCARBONYL)-PIPERAZINE DERIVATIVES FOR USE AS INHIBITORS OF HORMONE SENSITIVE LIPASE NOVO NORDISK A/S (DK) 2004-12-23 WO claimed
EP-1636189-A1 1-ARYL-4-(ARYLOXYCARBONYL)-PIPERAZINE DERIVATIVES FOR USE AS INHIBITORS OF HORMONE SENSITIVE LIPASE NOVO NORDISK A/S (DK) 2006-03-22 EP disclosed
WO-2004111007-A1 1-ARYL-4-(ARYLOXYCARBONYL)-PIPERAZINE DERIVATIVES FOR USE AS INHIBITORS OF HORMONE SENSITIVE LIPASE NOVO NORDISK A/S (DK) 2004-12-23 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-20060160819-A1 Substitued piperazine carbamates LIPE, PNLIP, LIPC TRPA1 2329/4885ALDH1A1 1021/4885SMN1; SMN2 2732/4885

“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.