SCHEMBL3274201

SCHEMBL3274201

COCCCN1C(=O)COc2ccc(COC3CN(C(=O)OCc4ccccc4)CC(O[Si](C(C)C)(C(C)C)C(C)C)C3c3ccc(Oc4cccnc4)cc3)cc21

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.35
ALDH1A1 P00352 2/20 0.35
CYP2D6 P10635 2/20 0.35
CYP2C9 P11712 2/20 0.35
CYP1A2 P05177 1/20 0.35
POLB P06746 1/20 0.35
MAPK1 P28482 1/20 0.35
CYP2C19 P33261 1/20 0.35
UTS2R Q9UKP6 1/20 0.34
REN P00797 3/20 0.33
TP53 P04637 1/20 0.33
MAPT P10636 2/20 0.33
RIPK1 Q13546 2/20 0.33
TSHR P16473 2/20 0.32
CHRM1 P11229 1/20 0.32
GRIN2B Q13224 1/20 0.31
USP2 O75604 1/20 0.31
MET P08581 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
SCHEMBL2339171 0.91 MAPT (0.40) CYP3A4ALDH1A1POLBUTS2RREN
SCHEMBL1037801 0.91 REN (0.39) CYP3A4CYP2D6CYP2C9CYP1A2CYP2C19
SCHEMBL3268975 0.90 REN (0.34) CYP3A4ALDH1A1CYP2D6CYP2C9CYP1A2
SCHEMBL3268089 0.90 REN (0.37) CYP3A4CYP2D6CYP2C9CYP1A2POLB
SCHEMBL4581441 0.90 REN (0.37) CYP3A4CYP2D6CYP2C9CYP1A2POLB
SCHEMBL3267600 0.90 MAPT (0.34) CYP3A4POLBUTS2RRENTP53
SCHEMBL3272600 0.88 MAPT (0.34) CYP3A4UTS2RRENMAPTTSHR
SCHEMBL2341022 0.88 UTS2R (0.37) CYP3A4ALDH1A1POLBUTS2RREN
SCHEMBL4581822 0.88 REN (0.36) CYP3A4ALDH1A1CYP2D6CYP2C9CYP1A2
SCHEMBL3267997 0.88 REN (0.36) CYP3A4ALDH1A1CYP2D6CYP2C9CYP1A2

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-7799779-B2 Substituted piperidines as renin inhibitors NOVARTIS AG (CH) 2010-09-21 US disclosed
EP-1863802-B1 SUBSTITUTED PIPERIDINES AS RENIN INHIBITORS NOVARTIS AG (CH) 2010-06-16 EP disclosed
US-20090306064-A1 Substituted Piperidines as Renin Inhibitors NOVARTIS AG (CH) 2009-12-10 US disclosed
EP-1987834-A2 Substituted piperidines as therapeutic compounds Speedel Experimenta AG (CH) 2008-11-05 EP 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-20090306064-A1 Substituted Piperidines as Renin Inhibitors REN, AGTR1, ACE CYP3A4 659/4885ALDH1A1 741/4885CYP2D6 429/4885

“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.