SCHEMBL7049326

SCHEMBL7049326

O=C(Cc1ccccc1)N1CCN(CCCC2(C(=O)O)c3ccccc3-c3ccccc32)CC1

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.52
SIGMAR1 Q99720 9/20 0.52
ALDH1A1 P00352 5/20 0.47
LMNA P02545 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
HPGD P15428 1/20 0.47
HTT P42858 1/20 0.47
KDM4E B2RXH2 4/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
USP2 O75604 1/20 0.46
HRH2 P25021 1/20 0.45
HRH1 P35367 1/20 0.45

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
Hydrochloric Acid SCHEMBL7051147 0.99 HSD11B1 (0.51) HSD11B1SIGMAR1ALDH1A1LMNASMN1; SMN2
SCHEMBL7051137 0.91 SIGMAR1 (0.50) HSD11B1SIGMAR1ALDH1A1LMNASMN1; SMN2
SCHEMBL7051141 0.90 SIGMAR1 (0.50) HSD11B1SIGMAR1ALDH1A1LMNASMN1; SMN2
SCHEMBL7047325 0.88 SIGMAR1 (0.55) HSD11B1SIGMAR1ALDH1A1LMNASMN1; SMN2
SCHEMBL27574371 0.88 SIGMAR1 (0.49) HSD11B1SIGMAR1ALDH1A1LMNASMN1; SMN2
SCHEMBL7606120 0.86 HSD11B1 (0.55) HSD11B1SIGMAR1ALDH1A1LMNASMN1; SMN2
SCHEMBL7051788 0.85 SIGMAR1 (0.43) HSD11B1SIGMAR1ALDH1A1LMNASMN1; SMN2
SCHEMBL7048327 0.85 SIGMAR1 (0.49) HSD11B1SIGMAR1ALDH1A1LMNASMN1; SMN2
SCHEMBL7051784 0.85 SIGMAR1 (0.52) HSD11B1SIGMAR1ALDH1A1LMNASMN1; SMN2
SCHEMBL7051107 0.85 MTTP (0.53) SIGMAR1

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 3 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
EP-1259492-A1 SUBSTITUTED PIPERAZINE DERIVATIVES AS MTP INHIBITORS Boehringer Ingelheim Pharma KG (DE) 2002-11-27 EP disclosed
WO-2001047899-A1 SUBSTITUTED PIPERAZINE DERIVATIVES AS MTP INHIBITORS BOEHRINGER INGELHEIM PHARMA KG (DE) 2001-07-05 WO 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 671/4885ALDH1A1 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.