SCHEMBL3558905

SCHEMBL3558905

CNC(=O)[C@H]1C[C@H](c2ccc(OC)cc2)[C@@H](OCc2ccc3c(c2)N(CCCOC)CCO3)CN1

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
REN P00797 4/20 0.37
THRB P10828 4/20 0.35
CYP3A4 P08684 2/20 0.35
CYP2C19 P33261 2/20 0.35
ALDH1A1 P00352 1/20 0.35
CYP2D6 P10635 1/20 0.35
MAPT P10636 4/20 0.34
RORC P51449 4/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TSHR P16473 2/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
TP53 P04637 2/20 0.32
BACE1 P56817 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
SCHEMBL2925318 1.00 REN (0.37) RENTHRBCYP3A4CYP2C19ALDH1A1
SCHEMBL8471181 1.00 REN (0.37) RENTHRBCYP3A4CYP2C19ALDH1A1
SCHEMBL2925073 0.92 REN (0.36) RENTHRBCYP3A4CYP2C19ALDH1A1
SCHEMBL2925028 0.92 REN (0.36) RENTHRBCYP3A4CYP2C19ALDH1A1
SCHEMBL2919180 0.92 REN (0.35) RENTHRBCYP3A4CYP2C19ALDH1A1
SCHEMBL3557355 0.92 REN (0.35) RENTHRBCYP3A4CYP2C19ALDH1A1
SCHEMBL2919377 0.91 REN (0.37) RENTHRBCYP3A4CYP2C19ALDH1A1
SCHEMBL2920660 0.90 REN (0.36) RENTHRBCYP3A4CYP2C19ALDH1A1
SCHEMBL8473606 0.90 REN (0.36) RENTHRBCYP3A4CYP2C19ALDH1A1
SCHEMBL2925500 0.89 REN (0.36) RENTHRBCYP3A4CYP2C19ALDH1A1

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 7 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-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
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 2490/4885CYP3A4 466/4885
US-20080171748-A1 Substituted piperidines REN, ACE, AGTR2 REN 1/4885THRB 1811/4885CYP3A4 148/4885

“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.