SCHEMBL7047221

SCHEMBL7047221

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.44
SIGMAR1 Q99720 6/20 0.43
HRH2 P25021 1/20 0.40
HRH1 P35367 1/20 0.40
MTTP P55157 2/20 0.40
CHRM2 P08172 1/20 0.40
ADRA2A P08913 1/20 0.40
ADORA3 P0DMS8 1/20 0.40
CHRM1 P11229 1/20 0.40
DRD1 P21728 1/20 0.40
TBXA2R P21731 1/20 0.40
PTGS1 P23219 1/20 0.40
SLC6A2 P23975 1/20 0.40
ADRA1A P35348 1/20 0.40
OPRM1 P35372 1/20 0.40
DRD3 P35462 1/20 0.40
SLC6A3 Q01959 1/20 0.40
KCNH2 Q12809 1/20 0.40
MTR Q99707 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.40

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
SCHEMBL7053021 0.89 SIGMAR1 (0.46) HSD11B1SIGMAR1HRH2HRH1MTTP
SCHEMBL7051788 0.88 SIGMAR1 (0.43) HSD11B1SIGMAR1HRH2HRH1SMN1; SMN2
SCHEMBL7047133 0.86 SIGMAR1 (0.50) HSD11B1SIGMAR1HRH2HRH1MTTP
SCHEMBL7049326 0.82 HSD11B1 (0.52) HSD11B1SIGMAR1HRH2HRH1SMN1; SMN2
SCHEMBL7047136 0.81 SIGMAR1 (0.43) HSD11B1SIGMAR1SMN1; SMN2ALDH1A1KDM4E
SCHEMBL7047217 0.81 SIGMAR1 (0.48) HSD11B1SIGMAR1HRH2HRH1MTTP
Hydrochloric Acid SCHEMBL7051147 0.81 HSD11B1 (0.51) HSD11B1SIGMAR1HRH2HRH1SMN1; SMN2
SCHEMBL7052018 0.81 SIGMAR1 (0.43) HSD11B1SIGMAR1HRH2HRH1SMN1; SMN2
SCHEMBL7051141 0.81 SIGMAR1 (0.50) HSD11B1SIGMAR1SMN1; SMN2ALDH1A1KDM4E
SCHEMBL7051784 0.81 SIGMAR1 (0.52) HSD11B1SIGMAR1HRH2HRH1SMN1; SMN2

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 HSD11B1 1161/4885SIGMAR1 671/4885HRH2 1435/4885

“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.