SCHEMBL13435456

SCHEMBL13435456

COCCCN1CCOc2ccc(CO[C@H]3CN[C@@H](C(=O)NCc4cccc(-c5ccccc5)c4)C[C@@H]3c3ccc(OC)cc3)cc21

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
REN P00797 6/20 0.36
THRB P10828 3/20 0.36
ALDH1A1 P00352 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C19 P33261 1/20 0.36
MAPT P10636 2/20 0.36
TP53 P04637 1/20 0.36
CHRM3 P20309 1/20 0.35
CACNA1G O43497 1/20 0.35
MAOA P21397 2/20 0.34
POLB P06746 1/20 0.33
PKM P14618 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
SENP1 Q9P0U3 1/20 0.32
RORC P51449 1/20 0.32

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
SCHEMBL8474303 1.00 REN (0.36) RENTHRBALDH1A1CYP3A4CYP2D6
SCHEMBL2925318 0.87 REN (0.37) RENTHRBALDH1A1CYP3A4CYP2D6
SCHEMBL8471181 0.87 REN (0.37) RENTHRBALDH1A1CYP3A4CYP2D6
SCHEMBL3558905 0.87 REN (0.37) RENTHRBALDH1A1CYP3A4CYP2D6
SCHEMBL2925028 0.86 REN (0.36) RENTHRBALDH1A1CYP3A4CYP2D6
SCHEMBL2925073 0.86 REN (0.36) RENTHRBALDH1A1CYP3A4CYP2D6
SCHEMBL2925747 0.85 THRB (0.36) RENTHRBALDH1A1CYP3A4CYP2D6
SCHEMBL2914916 0.85 THRB (0.36) RENTHRBALDH1A1CYP3A4CYP2D6
SCHEMBL2920387 0.85 MAPT (0.41) RENTHRBALDH1A1CYP3A4CYP2D6
SCHEMBL2919377 0.85 REN (0.37) RENTHRBALDH1A1CYP3A4CYP2D6

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 5 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-7687495-B2 Substituted piperidines SPEEDEL EXPERIMENTA AG (CH) 2010-03-30 US disclosed
US-20100029628-A1 2,4,5-Substituted Piperidines as Renin Inhibitors NOVARTIS AG (CH) 2010-02-04 US disclosed
US-20080171748-A1 Substituted piperidines NOVARTIS AG (CH) 2008-07-17 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 (2 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-20100029628-A1 2,4,5-Substituted Piperidines as Renin Inhibitors REN, AGT, AGTR1 REN 1/4885THRB 2490/4885ALDH1A1 435/4885
US-20080171748-A1 Substituted piperidines REN, ACE, AGTR2 REN 1/4885THRB 1811/4885ALDH1A1 222/4885

“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.