SCHEMBL15315536

SCHEMBL15315536

Cc1cc(N2CCCC(O)C2)cc(C(C)(C)C)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.45
ALDH1A1 P00352 1/20 0.45
GAA P10253 1/20 0.45
XBP1 P17861 1/20 0.45
MAPK1 P28482 1/20 0.45
HTT P42858 1/20 0.45
LMNA P02545 2/20 0.38
HTR1A P08908 1/20 0.37
HSD11B1 P28845 1/20 0.36
IKBKB O14920 1/20 0.36
FFAR4 Q5NUL3 2/20 0.36
IDH2 P48735 3/20 0.35
KDM4E B2RXH2 1/20 0.35
MAPT P10636 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
LRRK2 Q5S007 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34
CCNE2 O96020 1/20 0.33
CCNE1 P24864 1/20 0.33
CDK2 P24941 1/20 0.33

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
SCHEMBL15315554 0.91 AR (0.39) NPSR1ALDH1A1GAAXBP1MAPK1
SCHEMBL15195496 0.87 FFAR4 (0.47) LMNAHTR1AFFAR4IDH2CCNE2
SCHEMBL14092971 0.84 FFAR4 (0.47) NPSR1ALDH1A1GAAXBP1MAPK1
SCHEMBL15315543 0.82 FFAR4 (0.41) NPSR1ALDH1A1GAAXBP1MAPK1
SCHEMBL10104300 0.78 FFAR4 (0.49) ALDH1A1LMNAFFAR4IDH2MAPT
SCHEMBL20694289 0.76 AR (0.45) ALDH1A1LMNAFFAR4MAPTCDK2
SCHEMBL14092978 0.75 FFAR4 (0.49) ALDH1A1FFAR4IDH2MAPT
SCHEMBL15315556 0.74 HRH4 (0.40) HTR1AFFAR4HRH3
SCHEMBL12082348 0.73 SMN1; SMN2 (0.50) ALDH1A1GAALMNAKDM4EMAPT
SCHEMBL17665074 0.73 SMN1; SMN2 (0.50) ALDH1A1GAALMNAKDM4EMAPT

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-8841318-B2 Substituted heterocycles as janus kinase inhibitors INCYTE CORPORATION (US) 2014-09-23 US disclosed
US-20130274257-A1 SUBSTITUTED HETEROCYCLES AS JANUS KINASE INHIBITORS INCYTE CORPORATION 2013-10-17 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 (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-20130274257-A1 SUBSTITUTED HETEROCYCLES AS JANUS KINASE INHIBITORS JAK1, JAK3, JAK2 NPSR1 4124/4885ALDH1A1 3200/4885GAA 4330/4885

“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.