SCHEMBL7050140

SCHEMBL7050140

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 7/20 0.50
HRH2 P25021 1/20 0.43
HRH1 P35367 1/20 0.43
HSD11B1 P28845 1/20 0.43
MTTP P55157 2/20 0.42
CHRM2 P08172 1/20 0.42
ADRA2A P08913 1/20 0.42
ADORA3 P0DMS8 1/20 0.42
CHRM1 P11229 1/20 0.42
DRD1 P21728 1/20 0.42
TBXA2R P21731 1/20 0.42
PTGS1 P23219 1/20 0.42
SLC6A2 P23975 1/20 0.42
ADRA1A P35348 1/20 0.42
OPRM1 P35372 1/20 0.42
DRD3 P35462 1/20 0.42
SLC6A3 Q01959 1/20 0.42
KCNH2 Q12809 1/20 0.42
MTR Q99707 1/20 0.42
LMNA P02545 1/20 0.41

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
SCHEMBL7053017 0.91 SIGMAR1 (0.52) SIGMAR1HRH2HRH1HSD11B1MTTP
SCHEMBL7047217 0.89 SIGMAR1 (0.48) SIGMAR1HRH2HRH1HSD11B1MTTP
SCHEMBL7049635 0.88 SIGMAR1 (0.48) SIGMAR1HRH2HRH1HSD11B1MTTP
SCHEMBL7047133 0.87 SIGMAR1 (0.50) SIGMAR1HRH2HRH1HSD11B1MTTP
SCHEMBL7047321 0.86 SIGMAR1 (0.48) SIGMAR1HSD11B1MTTPCHRM2ADRA2A
SCHEMBL7051784 0.85 SIGMAR1 (0.52) SIGMAR1HRH2HRH1HSD11B1LMNA
SCHEMBL7037447 0.84 MTTP (0.56) SIGMAR1MTTPCHRM2ADRA2AADORA3
SCHEMBL7049217 0.82 SIGMAR1 (0.48) SIGMAR1HSD11B1LMNASMN1; SMN2ALDH1A1
SCHEMBL7047325 0.82 SIGMAR1 (0.55) SIGMAR1HRH2HRH1HSD11B1LMNA
SCHEMBL7047307 0.82 MTTP (0.53) SIGMAR1MTTPCHRM2ADRA2AADORA3

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 671/4885HRH2 1435/4885HRH1 1777/4885

“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.