SCHEMBL5714944

SCHEMBL5714944

Cc1ccc(CCN2CCN(C(=O)Oc3ccc(Cc4ccc(C)cn4)cc3)CC2)nc1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
TP53 P04637 2/20 0.42
HRH3 Q9Y5N1 1/20 0.42
CYP2D6 P10635 1/20 0.41
LMNA P02545 1/20 0.41
AOC3 Q16853 1/20 0.41
THRB P10828 1/20 0.40
LTA4H P09960 1/20 0.40
SMO Q99835 1/20 0.39
KEAP1 Q14145 1/20 0.39
NFE2L2 Q16236 1/20 0.39

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
SCHEMBL5714958 0.94 SIGMAR1 (0.44) CYP1A2CYP2C9CYP2C19AOC3
SCHEMBL5715277 0.93 TP53 (0.53) TP53LMNATHRB
SCHEMBL5715374 0.93 TP53 (0.53) TP53LMNATHRB
SCHEMBL5715262 0.93 AOC3 (0.48) CYP1A2CYP2C9CYP2C19TP53HRH3
SCHEMBL5714903 0.92 LIPE (0.47)
SCHEMBL5715512 0.91 CYP1A2 (0.38) CYP1A2CYP2C9CYP2C19TP53HRH3
SCHEMBL5715160 0.91 CYP1A2 (0.40) CYP1A2CYP2C9CYP2C19TP53LMNA
SCHEMBL5715189 0.91 TP53 (0.43) CYP1A2CYP2C9CYP2C19TP53HRH3
SCHEMBL5715275 0.91 TP53 (0.42) CYP1A2CYP2C9CYP2C19TP53LMNA
SCHEMBL5714361 0.91 TP53 (0.40) CYP1A2CYP2C9CYP2C19TP53CYP2D6

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
JP-2006527212-A 2006-11-30 JP claimed
US-20060160820-A1 Substituted piperazine carbamates NOVO NORDISK A/S (DK) 2006-07-20 US claimed
EP-1636187-A1 SUBSTITUTED PIPERAZINE CARBAMATES FOR USE AS INHIBITORS OF HORMONE SENSITIVE LIPASE NOVO NORDISK A/S (DK) 2006-03-22 EP claimed
WO-2004111004-A1 SUBSTITUTED PIPERAZINE CARBAMATES FOR USE AS INHIBITORS OF HORMONE SENSITIVE LIPASE NOVO NORDISK A/S (DK) 2004-12-23 WO claimed
US-20060160820-A1 Substituted piperazine carbamates NOVO NORDISK A/S (DK) 2006-07-20 US disclosed
EP-1636187-A1 SUBSTITUTED PIPERAZINE CARBAMATES FOR USE AS INHIBITORS OF HORMONE SENSITIVE LIPASE NOVO NORDISK A/S (DK) 2006-03-22 EP disclosed
WO-2004111004-A1 SUBSTITUTED PIPERAZINE CARBAMATES 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-20060160820-A1 Substituted piperazine carbamates LIPE, PNLIP, LPL CYP1A2 1070/4885CYP2C9 2959/4885CYP2C19 1366/4885

“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.