SCHEMBL7051788

SCHEMBL7051788

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

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 10/20 0.43
HSD11B1 P28845 1/20 0.42
NOS3 P29474 1/20 0.40
NOS1 P29475 1/20 0.40
LMNA P02545 3/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
KDM4E B2RXH2 1/20 0.39
ATM Q13315 1/20 0.39
HRH2 P25021 1/20 0.39
HRH1 P35367 1/20 0.39
MEN1 O00255 1/20 0.39
USP2 O75604 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL7047136 0.88 SIGMAR1 (0.43) SIGMAR1HSD11B1NOS3NOS1LMNA
SCHEMBL7049218 0.88 NOS3 (0.42) SIGMAR1HSD11B1NOS3NOS1LMNA
SCHEMBL7047221 0.88 HSD11B1 (0.44) SIGMAR1HSD11B1LMNAALDH1A1SMN1; SMN2
SCHEMBL7053021 0.87 SIGMAR1 (0.46) SIGMAR1HSD11B1LMNASMN1; SMN2KDM4E
SCHEMBL7048510 0.86 SIGMAR1 (0.41) SIGMAR1HSD11B1NOS3NOS1LMNA
SCHEMBL27574371 0.86 SIGMAR1 (0.49) SIGMAR1HSD11B1NOS3NOS1LMNA
SCHEMBL7048481 0.86 SIGMAR1 (0.43) SIGMAR1HSD11B1NOS3NOS1ALDH1A1
SCHEMBL7049639 0.86 SIGMAR1 (0.43) SIGMAR1HSD11B1NOS3NOS1ALDH1A1
SCHEMBL7047154 0.86 SIGMAR1 (0.41) SIGMAR1HSD11B1NOS3NOS1LMNA
SCHEMBL7049326 0.85 HSD11B1 (0.52) SIGMAR1HSD11B1LMNAALDH1A1HPGD

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 1161/4885NOS3 3260/4885

“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.