SCHEMBL3902736

SCHEMBL3902736

COCCCN1CCOc2ccc(CO[C@H]3CN(S(=O)(=O)c4ccc(C)cc4)C[C@@H](OCCC(=O)OC)[C@@H]3c3ccc(OC)cc3)cc21

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.38
ALDH1A1 P00352 4/20 0.38
PKM P14618 3/20 0.38
LMNA P02545 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
TP53 P04637 1/20 0.38
POLB P06746 2/20 0.37
KMT2A Q03164 2/20 0.36
MAPT P10636 1/20 0.36
THRB P10828 1/20 0.36
MEN1 O00255 1/20 0.36
GAA P10253 1/20 0.35
TSHR P16473 1/20 0.35

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
SCHEMBL3907620 0.92 PKM (0.39) CYP2C9ALDH1A1PKMLMNASMN1; SMN2
SCHEMBL3907440 0.92 PKM (0.38) CYP2C9ALDH1A1PKMLMNASMN1; SMN2
SCHEMBL3905192 0.92 PKM (0.39) CYP2C9ALDH1A1PKMLMNASMN1; SMN2
SCHEMBL5141084 0.91 PKM (0.38) CYP2C9ALDH1A1PKMLMNASMN1; SMN2
SCHEMBL3906270 0.91 PKM (0.38) CYP2C9ALDH1A1PKMLMNASMN1; SMN2
SCHEMBL3905637 0.91 PKM (0.39) CYP2C9ALDH1A1PKMLMNASMN1; SMN2
SCHEMBL3902390 0.91 PKM (0.39) CYP2C9ALDH1A1PKMLMNASMN1; SMN2
SCHEMBL3906127 0.90 PKM (0.37) CYP2C9ALDH1A1PKMLMNASMN1; SMN2
SCHEMBL3902393 0.90 PKM (0.38) CYP2C9ALDH1A1PKMLMNASMN1; SMN2
SCHEMBL3902413 0.90 PKM (0.38) CYP2C9ALDH1A1PKMLMNASMN1; SMN2

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-20090029981-A1 SUBSTITUTED 4-PHENYLPIPERIDINES NOVARTIS AG (CH) 2009-01-29 US disclosed
EP-2018862-A1 Substituted piperidines as therapeutic compounds Speedel Experimenta AG (CH) 2009-01-28 EP disclosed
EP-1973903-A1 SUBSTITUTED 4-PHENYLPIPERIDINES Speedel Experimenta AG (CH) 2008-10-01 EP disclosed
WO-2007082907-A1 SUBSTITUTED 4-PHENYLPIPERIDINES SPEEDEL EXPERIMENTA AG (CH) 2007-07-26 WO 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-20090029981-A1 SUBSTITUTED 4-PHENYLPIPERIDINES REN, AGTR2, ACE CYP2C9 158/4885ALDH1A1 1868/4885PKM 461/4885

“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.