SCHEMBL5716255

SCHEMBL5716255

Cc1cccc(N2CCN(C(=O)Oc3ccc(C(C)Sc4ncc[nH]4)cc3)CC2)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PANK3 Q9H999 2/20 0.42
ACACB O00763 2/20 0.39
TRPA1 O75762 3/20 0.37
CYP1A2 P05177 2/20 0.37
CYP2C9 P11712 2/20 0.37
MAPK1 P28482 2/20 0.37
CYP2C19 P33261 2/20 0.37
ALDH1A1 P00352 2/20 0.37
HSD17B10 Q99714 2/20 0.37
CYP3A4 P08684 1/20 0.37
TSHR P16473 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HTR3E A5X5Y0 1/20 0.36
HTR3B O95264 1/20 0.36
HTR3A P46098 1/20 0.36
HTR3D Q70Z44 1/20 0.36
HTR3C Q8WXA8 1/20 0.36
TRPV1 Q8NER1 3/20 0.36
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35

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
SCHEMBL5715343 0.88 HSD17B10 (0.49) PANK3CYP1A2CYP2C9MAPK1CYP2C19
SCHEMBL5715318 0.85 KMT2A (0.40) ALDH1A1LMNANPSR1KDM4EKMT2A
SCHEMBL5715243 0.85 PANK3 (0.52) PANK3TRPA1CYP1A2CYP2C9MAPK1
SCHEMBL5715069 0.84 TP53 (0.40) PANK3CYP2C19CYP3A4LMNAKDM4E
SCHEMBL5714025 0.83 SMN1; SMN2 (0.41) PANK3TRPA1CYP1A2CYP2C9MAPK1
SCHEMBL5714502 0.83 FAAH (0.36) LMNA
SCHEMBL5715494 0.82 PANK3 (0.53) PANK3TRPA1ALDH1A1HSD17B10CYP3A4
SCHEMBL5715127 0.82 PANK3 (0.51) PANK3SMN1; SMN2ALOX15
SCHEMBL5904362 0.82 PANK3 (0.42) PANK3ACACBTRPA1CYP1A2CYP2C9
SCHEMBL5715048 0.82 PANK3 (0.50) PANK3CYP1A2CYP2C9MAPK1CYP2C19

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 PANK3 1247/4885ACACB 58/4885TRPA1 2329/4885

“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.