SCHEMBL6103407

SCHEMBL6103407

Cc1cccnc1CCc1ccc(OC(=O)N2CCN(CCc3scnc3C)CC2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 3/20 0.42
POLB P06746 2/20 0.41
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
NPC1 O15118 1/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
RAB9A P51151 1/20 0.40
BLM P54132 1/20 0.40
KMT2A Q03164 1/20 0.40
ATM Q13315 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
HTR2A P28223 2/20 0.40
HTR1A P08908 1/20 0.40
DRD2 P14416 1/20 0.40
SIGMAR1 Q99720 2/20 0.39
ADORA3 P0DMS8 1/20 0.39
HTR7 P34969 1/20 0.39
OPRM1 P35372 1/20 0.39
TRPA1 O75762 2/20 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
SCHEMBL5714379 0.93 THRB (0.40) THRBPOLBKDM4EMEN1NPC1
SCHEMBL5714791 0.92 KDM4E (0.47) THRBPOLBKDM4EALDH1A1DRD2
SCHEMBL5715611 0.86 KDM4E (0.47) THRBPOLBKDM4EALDH1A1MAPT
SCHEMBL6102113 0.85 CYP3A4 (0.46) THRBPOLBALDH1A1HTR2ASIGMAR1
SCHEMBL6101597 0.84 TP53 (0.52) THRBKDM4EALDH1A1SIGMAR1
SCHEMBL6100018 0.83 LMNA (0.40) THRBPOLBALDH1A1KMT2AHTR2A
SCHEMBL5714553 0.83 HTR2A (0.44) THRBPOLBHTR2AHTR1ADRD2
SCHEMBL5715420 0.83 TP53 (0.49) THRBKDM4EALDH1A1HTR2AHTR1A
SCHEMBL6101947 0.83 THRB (0.46) THRBPOLBKDM4EALDH1A1HTR2A
SCHEMBL5714323 0.83 THRB (0.52) THRBPOLBHTR2ASIGMAR1ADORA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060160820-A1 Substituted piperazine carbamates NOVO NORDISK A/S (DK) 2006-07-20 US claimed
US-20060160820-A1 Substituted piperazine carbamates NOVO NORDISK A/S (DK) 2006-07-20 US 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 THRB 598/4885POLB 2674/4885KDM4E 1090/4885

“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.