SCHEMBL2914916

SCHEMBL2914916

COCCCN1CCOc2ccc(CO[C@H]3CN(C(=O)OCc4ccccc4)[C@H](C(=O)NCc4cccc(-c5ccccc5)c4)C[C@@H]3c3ccc(OC)cc3)cc21

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 3/20 0.36
TP53 P04637 2/20 0.36
ALDH1A1 P00352 2/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C19 P33261 1/20 0.35
MAPT P10636 2/20 0.35
TMEM97 Q5BJF2 1/20 0.34
SIGMAR1 Q99720 1/20 0.34
MC4R P32245 1/20 0.34
MC3R P41968 1/20 0.34
NPSR1 Q6W5P4 1/20 0.33
MMP9 P14780 3/20 0.33
MMP1 P03956 2/20 0.33
MMP3 P08254 2/20 0.33
ADAM17 P78536 1/20 0.33
ADAM9 Q13443 1/20 0.33
MAOA P21397 1/20 0.33
HDAC1 Q13547 1/20 0.33
APP P05067 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
SCHEMBL2925747 1.00 THRB (0.36) THRBTP53ALDH1A1CYP3A4CYP2D6
SCHEMBL2921899 0.91 TP53 (0.37) THRBTP53ALDH1A1CYP3A4CYP2D6
SCHEMBL2921502 0.89 TMEM97 (0.36) THRBTP53ALDH1A1TMEM97SIGMAR1
SCHEMBL2916067 0.89 TMEM97 (0.36) THRBTP53ALDH1A1TMEM97SIGMAR1
SCHEMBL2923548 0.88 TMEM97 (0.35) THRBTP53ALDH1A1TMEM97SIGMAR1
SCHEMBL5510524 0.87 TMEM97 (0.35) TP53ALDH1A1TMEM97SIGMAR1NPSR1
SCHEMBL2920401 0.87 TMEM97 (0.35) TP53ALDH1A1TMEM97SIGMAR1NPSR1
SCHEMBL2924938 0.87 MMP9 (0.35) THRBTP53ALDH1A1CYP3A4CYP2D6
SCHEMBL2924683 0.86 MAPT (0.38) THRBTP53ALDH1A1CYP3A4CYP2D6
SCHEMBL8474303 0.85 REN (0.36) THRBTP53ALDH1A1CYP3A4CYP2D6

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
EP-1863803-B1 SUBSTITUTED PIPERIDINES NOVARTIS AG (CH) 2010-09-01 EP 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

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 THRB 2490/4885TP53 738/4885ALDH1A1 435/4885
US-20080171748-A1 Substituted piperidines REN, ACE, AGTR2 THRB 1811/4885TP53 4616/4885ALDH1A1 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.