SCHEMBL3465765

SCHEMBL3465765

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

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
REN P00797 7/20 0.35
RORC P51449 7/20 0.34
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
MAPT P10636 2/20 0.31
CRHBP P24387 1/20 0.31
HTT P42858 1/20 0.31
CRHR2 Q13324 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
KCNH2 Q12809 1/20 0.31
THRB P10828 2/20 0.31
ALDH1A1 P00352 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C19 P33261 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
SCHEMBL13435408 1.00 REN (0.35) RENRORCMEN1KMT2AMAPT
SCHEMBL3465766 1.00 REN (0.35) RENRORCMEN1KMT2AMAPT
SCHEMBL2922568 0.94 REN (0.34) RENRORCMEN1KMT2AMAPT
SCHEMBL2926312 0.94 REN (0.34) RENRORCMEN1KMT2AMAPT
SCHEMBL4960585 0.94 REN (0.34) RENRORCMEN1KMT2AMAPT
SCHEMBL2922570 0.94 REN (0.34) RENRORCMEN1KMT2AMAPT
SCHEMBL13435410 0.93 REN (0.35) RENRORC
SCHEMBL2926597 0.93 REN (0.35) RENRORC
SCHEMBL2923802 0.93 REN (0.35) RENRORC
SCHEMBL2923804 0.93 REN (0.35) RENRORC

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 4 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-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

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 1/4885RORC 4757/4885MEN1 3984/4885
US-20080171748-A1 Substituted piperidines REN, ACE, AGTR2 REN 1/4885RORC 2727/4885MEN1 2843/4885

“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.