SCHEMBL7053021

SCHEMBL7053021

COC(=O)NC(=O)c1cccc2c1C(CCCCN1CCN(C(=O)Cc3ccccc3)CC1)(C(=O)O)c1ccccc1-2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 8/20 0.46
HSD11B1 P28845 1/20 0.41
KDM4E B2RXH2 1/20 0.40
ALOX15 P16050 1/20 0.40
HRH2 P25021 1/20 0.40
HRH1 P35367 1/20 0.40
LMNA P02545 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CHRM2 P08172 1/20 0.38
ADRA2A P08913 1/20 0.38
ADORA3 P0DMS8 1/20 0.38
CHRM1 P11229 1/20 0.38
DRD1 P21728 1/20 0.38
TBXA2R P21731 1/20 0.38
PTGS1 P23219 1/20 0.38
SLC6A2 P23975 1/20 0.38
ADRA1A P35348 1/20 0.38
OPRM1 P35372 1/20 0.38
DRD3 P35462 1/20 0.38
MTTP P55157 1/20 0.38

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
SCHEMBL7047221 0.89 HSD11B1 (0.44) SIGMAR1HSD11B1KDM4EHRH2HRH1
SCHEMBL7051788 0.87 SIGMAR1 (0.43) SIGMAR1HSD11B1KDM4EHRH2HRH1
SCHEMBL7050144 0.82 SIGMAR1 (0.44) SIGMAR1HSD11B1KDM4EALOX15HRH2
SCHEMBL7049326 0.81 HSD11B1 (0.52) SIGMAR1HSD11B1KDM4EHRH2HRH1
SCHEMBL7048510 0.81 SIGMAR1 (0.41) SIGMAR1HSD11B1KDM4EHRH2HRH1
SCHEMBL7047325 0.81 SIGMAR1 (0.55) SIGMAR1HSD11B1KDM4EALOX15HRH2
SCHEMBL7053017 0.81 SIGMAR1 (0.52) SIGMAR1HSD11B1KDM4EALOX15HRH2
SCHEMBL7047136 0.81 SIGMAR1 (0.43) SIGMAR1HSD11B1KDM4EALOX15LMNA
Hydrochloric Acid SCHEMBL7051147 0.81 HSD11B1 (0.51) SIGMAR1HSD11B1KDM4EHRH2HRH1
SCHEMBL7047154 0.80 SIGMAR1 (0.41) SIGMAR1HSD11B1KDM4EHRH2HRH1

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 1 patent. 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

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 1161/4885KDM4E 3023/4885

“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.