SCHEMBL3465071

SCHEMBL3465071

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

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
REN P00797 6/20 0.35
CACNA1S Q13698 2/20 0.31
RORC P51449 3/20 0.31
CYP3A4 P08684 2/20 0.31
THRB P10828 2/20 0.31
ALDH1A1 P00352 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C19 P33261 1/20 0.31
MAPT P10636 1/20 0.30
GPBAR1 Q8TDU6 1/20 0.30

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
SCHEMBL13498081 1.00 REN (0.35) RENCACNA1SRORCCYP3A4THRB
SCHEMBL2916737 0.91 REN (0.34) RENRORCCYP3A4THRBALDH1A1
SCHEMBL3465894 0.90 REN (0.35) REN
SCHEMBL2923834 0.90 REN (0.37) RENMAPT
SCHEMBL13498080 0.90 REN (0.37) RENMAPT
SCHEMBL3464431 0.90 REN (0.36) RENRORCCYP3A4THRBALDH1A1
SCHEMBL8260236 0.89 REN (0.43) RENRORCCYP3A4THRBALDH1A1
SCHEMBL2924682 0.89 REN (0.43) RENRORCCYP3A4THRBALDH1A1
SCHEMBL3556956 0.89 REN (0.35) RENRORCCYP3A4THRBALDH1A1
SCHEMBL2924946 0.89 REN (0.35) RENRORCCYP3A4THRBALDH1A1

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 6 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
EP-1958634-A2 Substituted piperidines as inhibitors of beta-secretase, cathepsin D, plasmepsin II and/or HIV protease Speedel Experimenta AG (CH) 2008-08-20 EP 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 1/4885CACNA1S 849/4885RORC 4757/4885
US-20080171748-A1 Substituted piperidines REN, ACE, AGTR2 REN 1/4885CACNA1S 587/4885RORC 2727/4885

“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.