SCHEMBL5714943

SCHEMBL5714943

O=C(Oc1ccc(CCSc2ncc[nH]2)cc1)N1CCN(c2ccccn2)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 9/20 0.49
ALDH1A1 P00352 8/20 0.49
TSHR P16473 6/20 0.49
CYP3A4 P08684 4/20 0.49
SMN1; SMN2 Q16637 4/20 0.49
CYP2C9 P11712 4/20 0.49
CYP1A2 P05177 3/20 0.49
CYP2C19 P33261 3/20 0.49
MAPK1 P28482 3/20 0.49
HPGD P15428 4/20 0.48
NPSR1 Q6W5P4 2/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
LMNA P02545 2/20 0.46
KDM4E B2RXH2 7/20 0.44
CYP2D6 P10635 1/20 0.43
MAPT P10636 1/20 0.42
HTT P42858 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
KMT2A Q03164 1/20 0.42

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
SCHEMBL5715306 0.91 HSD17B10 (0.51) HSD17B10ALDH1A1TSHRCYP3A4SMN1; SMN2
SCHEMBL5714690 0.88 PARP1 (0.38) HSD17B10ALDH1A1TSHRCYP3A4SMN1; SMN2
SCHEMBL5715128 0.86 ME2 (0.43) SMN1; SMN2HPGD
SCHEMBL5714722 0.86 PANK3 (0.42) HSD17B10ALDH1A1TSHRSMN1; SMN2CYP2C9
SCHEMBL5715038 0.86 ME2 (0.43)
SCHEMBL5714765 0.86 ALDH1A1 (0.55) HSD17B10ALDH1A1TSHRCYP3A4SMN1; SMN2
SCHEMBL5714975 0.86 HRH3 (0.40) HSD17B10ALDH1A1TSHRCYP3A4SMN1; SMN2
SCHEMBL5904372 0.86 PANK3 (0.40) HSD17B10ALDH1A1TSHRCYP3A4SMN1; SMN2
SCHEMBL5714398 0.86 ALDH1A1 (0.52) HSD17B10ALDH1A1TSHRCYP3A4SMN1; SMN2
SCHEMBL5714227 0.85 KDM4E (0.48) ALDH1A1TSHRMAPK1NPSR1KDM4E

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 3 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

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 HSD17B10 285/4885ALDH1A1 1021/4885TSHR 439/4885

“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.