SCHEMBL3555798

SCHEMBL3555798

COCCCN1CCOc2ccc(CO[C@H]3CN(Sc4ccc(C)cc4)[C@@H](CCC(=O)O)C[C@@H]3c3ccc(OC)cc3)cc21

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
THRB P10828 1/20 0.33
CYP2C19 P33261 1/20 0.33
REN P00797 1/20 0.31

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
SCHEMBL3557395 0.91 REN (0.32) REN
SCHEMBL4646776 0.87 REN (0.34) ALDH1A1CYP3A4CYP2D6THRBCYP2C19
SCHEMBL2923347 0.87 LMNA (0.36) ALDH1A1
SCHEMBL2917973 0.83 TMEM97 (0.35) ALDH1A1REN
SCHEMBL2919675 0.83 CYP2C9 (0.35) REN
SCHEMBL5508707 0.83 FKBP1A (0.36) ALDH1A1
SCHEMBL2924197 0.83 FKBP1A (0.36) ALDH1A1
SCHEMBL3561383 0.82 REN (0.30) REN
SCHEMBL4958115 0.82 REN (0.35) ALDH1A1CYP3A4CYP2D6THRBCYP2C19
SCHEMBL2915001 0.82 FKBP1A (0.38) ALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7687495-B2 Substituted piperidines SPEEDEL EXPERIMENTA AG (CH) 2010-03-30 US disclosed
US-20080171748-A1 Substituted piperidines NOVARTIS AG (CH) 2008-07-17 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-20080171748-A1 Substituted piperidines REN, ACE, AGTR2 ALDH1A1 222/4885CYP3A4 148/4885CYP2D6 44/4885

“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.