SCHEMBL7051784

SCHEMBL7051784

CNC(=O)C1(CCCCN2CCN(C(=O)Cc3ccccc3)CC2)c2ccccc2-c2ccccc21

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 8/20 0.52
HSD11B1 P28845 1/20 0.49
LMNA P02545 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
ALDH1A1 P00352 3/20 0.46
KDM4E B2RXH2 2/20 0.46
HPGD P15428 1/20 0.45
HTT P42858 1/20 0.45
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
USP2 O75604 1/20 0.44
HRH2 P25021 1/20 0.43
HRH1 P35367 1/20 0.43

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
SCHEMBL7047133 0.90 SIGMAR1 (0.50) SIGMAR1HSD11B1LMNASMN1; SMN2ALDH1A1
SCHEMBL7047321 0.89 SIGMAR1 (0.48) SIGMAR1HSD11B1LMNASMN1; SMN2ALDH1A1
SCHEMBL7049217 0.89 SIGMAR1 (0.48) SIGMAR1HSD11B1LMNASMN1; SMN2ALDH1A1
SCHEMBL7047217 0.88 SIGMAR1 (0.48) SIGMAR1HSD11B1LMNASMN1; SMN2ALDH1A1
SCHEMBL7049635 0.88 SIGMAR1 (0.48) SIGMAR1HSD11B1LMNASMN1; SMN2ALDH1A1
SCHEMBL7053017 0.87 SIGMAR1 (0.52) SIGMAR1HSD11B1LMNASMN1; SMN2KDM4E
SCHEMBL27574371 0.86 SIGMAR1 (0.49) SIGMAR1HSD11B1LMNASMN1; SMN2ALDH1A1
SCHEMBL7037447 0.86 MTTP (0.56) SIGMAR1
SCHEMBL7048327 0.86 SIGMAR1 (0.49) SIGMAR1HSD11B1LMNASMN1; SMN2ALDH1A1
SCHEMBL7048504 0.85 MTTP (0.47) SIGMAR1HSD11B1LMNASMN1; SMN2ALDH1A1

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-20030114442-A1 Substituted piperazine derivatives as mtp inhibitors BOEHRINGER INGELHEIM PHARMA KG (DE) 2003-06-19 US disclosed
CN-1414956-A Substituted piperazine derivatives as MIP inhibitors BOEHRINGER INGELHEIM PHARMA (DE) 2003-04-30 CN 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-20030114442-A1 Substituted piperazine derivatives as mtp inhibitors MTTP, CETP, LIPC SIGMAR1 671/4885HSD11B1 1161/4885LMNA 1855/4885

“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.