SCHEMBL2682373

SCHEMBL2682373

COCCCOCc1ccc([C@H]2[C@H](O)CN(S(=O)(=O)c3ccc(C)cc3)C[C@@H]2OCc2ccc3c(c2)N(CCCOC)CCO3)cc1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 8/20 0.38
SMN1; SMN2 Q16637 7/20 0.38
ALDH1A1 P00352 5/20 0.37
PKM P14618 5/20 0.37
POLB P06746 2/20 0.37
KMT2A Q03164 2/20 0.37
CYP2C9 P11712 1/20 0.36
GAA P10253 3/20 0.36
HTT P42858 1/20 0.36
MAPT P10636 3/20 0.36
ATM Q13315 1/20 0.36
MEN1 O00255 1/20 0.35
REN P00797 1/20 0.35
THRB P10828 1/20 0.34

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
SCHEMBL5276185 0.97 LMNA (0.38) LMNASMN1; SMN2ALDH1A1PKMPOLB
SCHEMBL2683091 0.97 LMNA (0.38) LMNASMN1; SMN2ALDH1A1PKMPOLB
SCHEMBL2683572 0.95 KMT2A (0.38) LMNASMN1; SMN2ALDH1A1PKMPOLB
SCHEMBL5291687 0.95 KMT2A (0.38) LMNASMN1; SMN2ALDH1A1PKMPOLB
SCHEMBL2683488 0.95 KMT2A (0.38) LMNASMN1; SMN2ALDH1A1PKMPOLB
SCHEMBL2683569 0.95 POLB (0.36) LMNASMN1; SMN2ALDH1A1PKMPOLB
SCHEMBL2682299 0.94 LMNA (0.36) LMNASMN1; SMN2ALDH1A1PKMPOLB
SCHEMBL5278364 0.93 CYP2C9 (0.39) LMNASMN1; SMN2ALDH1A1PKMPOLB
SCHEMBL2683301 0.93 CYP2C9 (0.39) LMNASMN1; SMN2ALDH1A1PKMPOLB
SCHEMBL2683168 0.93 KMT2A (0.38) PKMPOLBKMT2ACYP2C9GAA

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120115859-A1 3,4,5-SUBSTITUTED PIPERIDINES AS RENIN INHIBITORS HEROLD PETER (CH) 2012-05-10 US disclosed
US-20090270380-A1 3,4,5-Substituted Piperidines as Renin Inhibitors NOVARTIS AG (CH) 2009-10-29 US disclosed
EP-1863763-A1 3,4,5-SUBSTITUTED PIPERIDINES AS RENIN INHIBITORS Speedel Experimenta AG (CH) 2007-12-12 EP disclosed
EP-1816122-A2 3,4,5-substituted piperidines as therapeutic compounds Speedel Experimenta AG (CH) 2007-08-08 EP disclosed
US-20070167433-A1 3,4,5-Substituted piperidines as therapeutic compounds SPEEDEL EXPERIMENTA AG (CH) 2007-07-19 US disclosed
WO-2006103275-A1 3,4,5-SUBSTITUTED PIPERIDINES AS RENIN INHIBITORS SPEEDEL EXPERIMENTA AG (CH) 2006-10-05 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 (3 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-20070167433-A1 3,4,5-Substituted piperidines as therapeutic compounds CTSD, CTSL, CTSZ LMNA 390/4885SMN1; SMN2 1003/4885ALDH1A1 3787/4885
US-20120115859-A1 3,4,5-SUBSTITUTED PIPERIDINES AS RENIN INHIBITORS REN, AGTR1, AGTR2 LMNA 536/4885SMN1; SMN2 4302/4885ALDH1A1 2345/4885
US-20090270380-A1 3,4,5-Substituted Piperidines as Renin Inhibitors REN, AGTR1, AGTR2 LMNA 508/4885SMN1; SMN2 4254/4885ALDH1A1 2391/4885

“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.