SCHEMBL3935843

SCHEMBL3935843

COC(=O)/C=C/[C@@H]1CC[C@@H](OCc2ccc(OC)cc2)CN1S(=O)(=O)c1ccc(C)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FKBP1A P62942 1/20 0.44
ALDH1A1 P00352 2/20 0.44
USP2 O75604 1/20 0.44
LMNA P02545 1/20 0.44
GAA P10253 1/20 0.44
TSHR P16473 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
PKM P14618 2/20 0.42
POLB P06746 2/20 0.42
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MMP1 P03956 3/20 0.42
ADAM17 P78536 2/20 0.42
RAB9A P51151 1/20 0.42
PAX8 Q06710 1/20 0.42
MMP13 P45452 2/20 0.41
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
KCNQ1 P51787 1/20 0.40
MMP3 P08254 1/20 0.40

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
SCHEMBL3935849 1.00 FKBP1A (0.44) FKBP1AALDH1A1USP2LMNAGAA
SCHEMBL3932999 0.87 LMNA (0.45) FKBP1AALDH1A1USP2LMNAGAA
SCHEMBL4162834 0.80 FKBP1A (0.46) FKBP1AALDH1A1USP2LMNAGAA
SCHEMBL3933140 0.80 FKBP1A (0.46) FKBP1AALDH1A1USP2LMNAGAA
SCHEMBL3933656 0.79 RAB9A (0.45) FKBP1AALDH1A1USP2LMNAGAA
SCHEMBL3940677 0.78 FKBP1A (0.45) FKBP1AALDH1A1USP2LMNAGAA
SCHEMBL4051563 0.78 RAB9A (0.43) FKBP1AALDH1A1USP2LMNAGAA
SCHEMBL8199984 0.74 MMP1 (0.60) ALDH1A1LMNAGAATSHRNPSR1
SCHEMBL3930174 0.73 FKBP1A (0.42) FKBP1AALDH1A1USP2LMNAGAA
SCHEMBL3933301 0.69 MMP1 (0.38) FKBP1AALDH1A1USP2LMNAGAA

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-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
EP-2044059-A1 2,5-DISUBSTITUTED PIPERIDINES Speedel Experimenta AG (CH) 2009-04-08 EP disclosed
WO-2007141318-A1 2,5-DISUBSTITUTED PIPERIDINES SPEEDEL EXPERIMENTA AG (CH) 2007-12-13 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 FKBP1A 2153/4885ALDH1A1 466/4885USP2 2390/4885

“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.