SCHEMBL6101871

SCHEMBL6101871

O=C(O)c1ccc(CCCN2CCN(C(=O)Oc3ccc(N4C(=O)C5CCCCC5C4=O)cn3)CC2)nc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.38
GAA P10253 1/20 0.38
HPGD P15428 1/20 0.38
HRH2 P25021 2/20 0.35
HRH1 P35367 2/20 0.35
KMT2A Q03164 2/20 0.35
POLB P06746 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
FAAH O00519 3/20 0.34
CYP2D6 P10635 1/20 0.34
MGLL Q99685 1/20 0.34
CHRM3 P20309 2/20 0.34
MAPT P10636 2/20 0.33
EPHX2 P34913 1/20 0.33
LMNA P02545 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MEN1 O00255 1/20 0.33
OPRM1 P35372 1/20 0.33
OPRD1 P41143 1/20 0.33
OPRK1 P41145 1/20 0.33

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
SCHEMBL5715255 0.90 ALDH1A1 (0.40) ALDH1A1GAAHPGDKMT2APOLB
SCHEMBL5714497 0.89 ALDH1A1 (0.37) ALDH1A1GAAHPGDHRH2HRH1
SCHEMBL5714854 0.87 THRB (0.41) ALDH1A1KMT2AL3MBTL1CYP2D6CHRM3
SCHEMBL5715004 0.84 ALDH1A1 (0.38) ALDH1A1GAAHPGDKMT2APOLB
SCHEMBL5714963 0.84 FAAH (0.36) ALDH1A1HRH2HRH1KMT2AFAAH
SCHEMBL5715303 0.83 SMN1; SMN2 (0.36) ALDH1A1HRH2HRH1KMT2APOLB
SCHEMBL5715200 0.82 HRH3 (0.46) ALDH1A1GAAHPGDKMT2AMEN1
SCHEMBL5715222 0.81 THRB (0.46) ALDH1A1KMT2AL3MBTL1CYP2D6LMNA
SCHEMBL5714760 0.81 KDM4E (0.45) ALDH1A1KMT2AL3MBTL1FAAHMGLL
SCHEMBL5715472 0.80 ALDH1A1 (0.36) ALDH1A1GAAHPGDKMT2APOLB

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 ALDH1A1 1504/4885GAA 84/4885HPGD 1255/4885

“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.