SCHEMBL7047133

SCHEMBL7047133

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

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 4/20 0.50
HSD11B1 P28845 1/20 0.50
ALDH1A1 P00352 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
KDM4E B2RXH2 1/20 0.47
LMNA P02545 2/20 0.46
HRH2 P25021 1/20 0.44
HRH1 P35367 1/20 0.44
CHRM2 P08172 1/20 0.44
ADRA2A P08913 1/20 0.44
ADORA3 P0DMS8 1/20 0.44
CHRM1 P11229 1/20 0.44
DRD1 P21728 1/20 0.44
TBXA2R P21731 1/20 0.44
PTGS1 P23219 1/20 0.44
SLC6A2 P23975 1/20 0.44
ADRA1A P35348 1/20 0.44
OPRM1 P35372 1/20 0.44
DRD3 P35462 1/20 0.44
MTTP P55157 1/20 0.44

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
SCHEMBL7047217 0.92 SIGMAR1 (0.48) SIGMAR1HSD11B1ALDH1A1SMN1; SMN2KDM4E
SCHEMBL7049635 0.92 SIGMAR1 (0.48) SIGMAR1HSD11B1ALDH1A1SMN1; SMN2KDM4E
SCHEMBL7047321 0.91 SIGMAR1 (0.48) SIGMAR1HSD11B1ALDH1A1SMN1; SMN2KDM4E
SCHEMBL7051784 0.90 SIGMAR1 (0.52) SIGMAR1HSD11B1ALDH1A1SMN1; SMN2KDM4E
SCHEMBL7053017 0.89 SIGMAR1 (0.52) SIGMAR1HSD11B1SMN1; SMN2KDM4ELMNA
SCHEMBL7037447 0.89 MTTP (0.56) SIGMAR1CHRM2ADRA2AADORA3CHRM1
SCHEMBL7050140 0.87 SIGMAR1 (0.50) SIGMAR1HSD11B1ALDH1A1SMN1; SMN2LMNA
SCHEMBL7049217 0.87 SIGMAR1 (0.48) SIGMAR1HSD11B1ALDH1A1SMN1; SMN2KDM4E
SCHEMBL7047221 0.86 HSD11B1 (0.44) SIGMAR1HSD11B1ALDH1A1SMN1; SMN2KDM4E
SCHEMBL7051107 0.85 MTTP (0.53) SIGMAR1CHRM2ADRA2AADORA3CHRM1

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 1161/4885ALDH1A1 738/4885

“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.