SCHEMBL5714932

SCHEMBL5714932

Cc1cccc(CN2CCN(C(=O)Oc3ccc(CCOc4ccncc4)cc3)CC2)n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH2 P25021 1/20 0.45
HRH1 P35367 1/20 0.45
THRB P10828 2/20 0.43
CYP1A2 P05177 2/20 0.43
CYP3A4 P08684 2/20 0.43
CYP2C9 P11712 2/20 0.43
KMT2A Q03164 1/20 0.43
POLB P06746 2/20 0.42
ALDH1A1 P00352 3/20 0.42
KDM4E B2RXH2 2/20 0.42
ADORA3 P0DMS8 1/20 0.41
HTR2A P28223 1/20 0.41
HTR7 P34969 1/20 0.41
OPRM1 P35372 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
USP2 O75604 1/20 0.41
CYP2C19 P33261 1/20 0.41
DRD3 P35462 1/20 0.40
F10 P00742 1/20 0.40
TDP1 Q9NUW8 1/20 0.40

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
SCHEMBL5714720 0.92 THRB (0.49) HRH2HRH1THRBCYP1A2CYP2C9
SCHEMBL5715112 0.90 DRD2 (0.45) KMT2AALDH1A1KDM4EDRD3
SCHEMBL5714697 0.90 HRH2 (0.52) HRH2HRH1THRBCYP1A2CYP2C9
SCHEMBL5714612 0.87 CYP1A2 (0.42) CYP1A2CYP3A4CYP2C9KMT2AALDH1A1
SCHEMBL5714645 0.87 KDM4E (0.48) KMT2AALDH1A1KDM4EADORA3HTR2A
SCHEMBL5714731 0.87 ALDH1A1 (0.53) THRBCYP1A2CYP3A4CYP2C9KMT2A
SCHEMBL5715385 0.86 KMT2A (0.48) KMT2AALDH1A1KDM4E
SCHEMBL5714606 0.85 SLC6A7 (0.44) HRH2HRH1THRBCYP1A2CYP3A4
SCHEMBL6099837 0.84 KDM4E (0.44) CYP1A2CYP3A4CYP2C9KMT2AALDH1A1
SCHEMBL5714100 0.84 THRB (0.45) HRH2HRH1THRBCYP1A2CYP3A4

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 HRH2 589/4885HRH1 602/4885THRB 598/4885

“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.