SCHEMBL2917641

SCHEMBL2917641

CC[C@H](C#N)C[C@H]1C[C@H](c2ccc(OC)cc2)[C@@H](OCc2ccc3c(c2)N(CCCOC)CCO3)CN1S(=O)(=O)c1ccc(C)cc1

nearest known ligand 0.33

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.33
LMNA P02545 4/20 0.32
ALDH1A1 P00352 3/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
PKM P14618 2/20 0.32
USP2 O75604 1/20 0.32
GAA P10253 1/20 0.32
TSHR P16473 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
NPC1 O15118 1/20 0.32
MAPT P10636 2/20 0.32
FKBP1A P62942 1/20 0.32
REN P00797 1/20 0.31
CYP2C9 P11712 2/20 0.31
RORC P51449 3/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C19 P33261 1/20 0.31
HSD11B1 P28845 1/20 0.30
POLB P06746 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
SCHEMBL2924600 1.00 KMT2A (0.33) KMT2ALMNAALDH1A1SMN1; SMN2PKM
SCHEMBL2923661 0.94 LMNA (0.32) KMT2ALMNAALDH1A1SMN1; SMN2PKM
SCHEMBL2920757 0.94 LMNA (0.31) LMNAALDH1A1SMN1; SMN2PKMREN
SCHEMBL2921037 0.94 LMNA (0.33) KMT2ALMNAALDH1A1SMN1; SMN2PKM
SCHEMBL2916947 0.94 KMT2A (0.33) KMT2ALMNAALDH1A1SMN1; SMN2PKM
SCHEMBL2924259 0.94 LMNA (0.33) KMT2ALMNAALDH1A1SMN1; SMN2PKM
SCHEMBL2924301 0.94 KMT2A (0.33) KMT2ALMNAALDH1A1SMN1; SMN2PKM
SCHEMBL2918540 0.94 LMNA (0.33) KMT2ALMNAALDH1A1SMN1; SMN2PKM
SCHEMBL2926300 0.94 LMNA (0.33) KMT2ALMNAALDH1A1SMN1; SMN2PKM
SCHEMBL2916945 0.94 KMT2A (0.33) KMT2ALMNAALDH1A1SMN1; SMN2PKM

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 KMT2A 2879/4885LMNA 655/4885ALDH1A1 435/4885
US-20080171748-A1 Substituted piperidines REN, ACE, AGTR2 KMT2A 2739/4885LMNA 2502/4885ALDH1A1 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.