SCHEMBL798026

SCHEMBL798026

CC(=O)C1CCN(Cc2ccc(C(C)(C)C)cc2)CC1

nearest known ligand 0.68

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
CACNA1G O43497 2/20 0.49
DRD2 P14416 2/20 0.49
HTR2A P28223 1/20 0.49
HTR2C P28335 1/20 0.49
HTR2B P41595 1/20 0.49
SIGMAR1 Q99720 1/20 0.49
TEAD1 P28347 3/20 0.49
ALDH1A1 P00352 3/20 0.49
KDM4E B2RXH2 2/20 0.49
MAPT P10636 1/20 0.49
RAB9A P51151 1/20 0.49
S1PR1 P21453 2/20 0.48
S1PR4 O95977 1/20 0.48
S1PR5 Q9H228 1/20 0.48
KCNH2 Q12809 1/20 0.48
DRD4 P21917 1/20 0.47
GPR183 P32249 1/20 0.47

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
SCHEMBL797736 0.92 S1PR1 (0.54) MEN1KMT2ASIGMAR1TEAD1S1PR1
SCHEMBL5791973 0.88 MEN1 (0.60) MEN1KMT2ACACNA1GDRD2HTR2A
SCHEMBL797358 0.86 SIGMAR1 (0.57) CACNA1GHTR2AHTR2CSIGMAR1KCNH2
SCHEMBL797980 0.85 S1PR1 (0.60) MEN1KMT2AALDH1A1KDM4EMAPT
SCHEMBL21820693 0.83 TEAD1 (0.58) DRD2SIGMAR1TEAD1ALDH1A1KDM4E
SCHEMBL12200730 0.83 L3MBTL1 (0.61) MEN1KMT2AALDH1A1KDM4ES1PR1
SCHEMBL15942972 0.83 S1PR5 (0.63) MEN1KMT2AS1PR1S1PR4S1PR5
SCHEMBL592839 0.81 MEN1 (0.66) MEN1KMT2ASIGMAR1
SCHEMBL12412709 0.81 ALDH1A1 (0.59) MEN1KMT2ADRD2HTR2AHTR2C
SCHEMBL7238102 0.81 MEN1 (0.62) MEN1KMT2ACACNA1GSIGMAR1S1PR5

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-8802663-B2 Pyrazole oxadiazole derivatives as S1P1 agonists MERCK SERONO SA (CH) 2014-08-12 US disclosed
US-20120071460-A1 PYRAZOLE OXADIAZOLE DERIVATIVES AS S1P1 AGONISTS MERCK SERONO SA (CH) 2012-03-22 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 (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-20120071460-A1 PYRAZOLE OXADIAZOLE DERIVATIVES AS S1P1 AGONISTS S1PR1, S1PR3, S1PR2 MEN1 700/4885KMT2A 3846/4885CACNA1G 996/4885

“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.