SCHEMBL2396461

SCHEMBL2396461

C1CC2CC1CC2NC1CC2CCC1C2

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 3/20 0.45
SIGMAR1 Q99720 4/20 0.44
GRIN2D O15399 2/20 0.44
GRIN3B O60391 2/20 0.44
GRIN1 Q05586 2/20 0.44
GRIN2A Q12879 2/20 0.44
GRIN2B Q13224 2/20 0.44
GRIN2C Q14957 2/20 0.44
GRIN3A Q8TCU5 2/20 0.44
EPHX1 P07099 1/20 0.44
MAPT P10636 1/20 0.44
HSP90AA1 P07900 2/20 0.39
ALDH1A1 P00352 3/20 0.38
TAS1R3 Q7RTX0 1/20 0.38
TAS1R1 Q7RTX1 1/20 0.38
TAS1R2 Q8TE23 1/20 0.38
GAA P10253 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
DPP4 P27487 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36

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
SCHEMBL14993971 0.89 EPHX1 (0.46) EPHX2SIGMAR1GRIN2DGRIN3BGRIN1
SCHEMBL998576 0.85 EPHX1 (0.56) EPHX2SIGMAR1GRIN2DGRIN3BGRIN1
SCHEMBL999282 0.79 EPHX1 (0.40) EPHX2SIGMAR1GRIN2DGRIN3BGRIN1
SCHEMBL8280475 0.78
SCHEMBL15782690 0.78
SCHEMBL13503464 0.78
SCHEMBL1241643 0.78
SCHEMBL13211933 0.78
SCHEMBL8136143 0.78
SCHEMBL11888518 0.78

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-8957212-B2 Photobase generator WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2015-02-17 US disclosed
EP-2368875-B1 PHOTOBASE GENERATOR WAKO PURE CHEM IND LTD (JP) 2014-09-03 EP disclosed
US-20110233048-A1 PHOTOBASE GENERATOR WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) 2011-09-29 US disclosed
EP-2368875-A1 PHOTOBASE GENERATOR Wako Pure Chemical Industries, Ltd. (JP) 2011-09-28 EP 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-20110233048-A1 PHOTOBASE GENERATOR CYBA, CRY1, GNB1 EPHX2 3284/4885SIGMAR1 4415/4885GRIN2D 2293/4885

“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.