SCHEMBL4050149

SCHEMBL4050149

COCCCCc1cc(CO[C@@H]2CC[C@@H](CC(C)(C)C(=O)NCC3CCOCC3)N(S(=O)(=O)c3ccc(C)cc3)C2)cc(C)n1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 5/20 0.36
CNR1 P21554 3/20 0.34
GAA P10253 1/20 0.33
L3MBTL1 Q9Y468 2/20 0.32
LMNA P02545 2/20 0.32
HPGD P15428 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
KDM4E B2RXH2 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
ALDH1A1 P00352 2/20 0.32
MERTK Q12866 2/20 0.32
FKBP1A P62942 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
AXL P30530 1/20 0.30
POLB P06746 1/20 0.30
HSD17B10 Q99714 1/20 0.30
RAB9A P51151 1/20 0.30
PAX8 Q06710 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
SCHEMBL3942855 0.88 GAA (0.36) GAALMNAALDH1A1FKBP1AKMT2A
SCHEMBL3932125 0.87 FKBP1A (0.37) CNR2GAALMNAALDH1A1FKBP1A
SCHEMBL3929383 0.82 FKBP1A (0.37) GAALMNAALDH1A1FKBP1AKMT2A
SCHEMBL4060012 0.81 CASP3 (0.36) GAALMNAALDH1A1FKBP1AKMT2A
SCHEMBL4060017 0.81 CASP3 (0.36) GAALMNAALDH1A1FKBP1AKMT2A
SCHEMBL3942325 0.80 FKBP1A (0.35) CNR2GAALMNAALDH1A1FKBP1A
SCHEMBL4314282 0.80 FKBP1A (0.35) CNR2GAALMNAALDH1A1FKBP1A
SCHEMBL4497698 0.80 GSK3B (0.33) CNR2RAB9A
SCHEMBL3940425 0.78 FKBP1A (0.34) GAAFKBP1A
SCHEMBL3931194 0.77 KDM4E (0.31) LMNAHPGDSMN1; SMN2KDM4ETDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090306062-A1 2,5-Disubstituted Piperidines NOVARTIS AG (CH) 2009-12-10 US disclosed
WO-2009106599-A2 SUBSTITUTED PIPERIDINES AS THERAPEUTIC COMPOUNDS NOVARTIS AG (CH) 2009-09-03 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-20090306062-A1 2,5-Disubstituted Piperidines REN, AGTR1, AGTR2 CNR2 402/4885CNR1 246/4885GAA 667/4885

“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.