SCHEMBL17828136

SCHEMBL17828136

CCc1cncc(OC(C)C)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 4/20 0.44
CHRNA4 P43681 4/20 0.44
GRIN2D O15399 1/20 0.41
GRIN3B O60391 1/20 0.41
GRIN1 Q05586 1/20 0.41
GRIN2A Q12879 1/20 0.41
GRIN2B Q13224 1/20 0.41
GRIN2C Q14957 1/20 0.41
GRIN3A Q8TCU5 1/20 0.41
CYP11B1 P15538 2/20 0.39
CYP11B2 P19099 2/20 0.39
PIK3CD O00329 1/20 0.38
PIP5K1C O60331 1/20 0.38
PIK3CA P42336 1/20 0.38
PIK3CB P42338 1/20 0.38
PI4KA P42356 1/20 0.38
PIK3CG P48736 1/20 0.38
PI4KB Q9UBF8 1/20 0.38
CHRNB4 P30926 2/20 0.36
CHRNA3 P32297 2/20 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
SCHEMBL13802810 0.83 GRIN2D (0.44) CHRNB2CHRNA4GRIN2DGRIN3BGRIN1
SCHEMBL4882706 0.83 CHRNB2 (0.41) CHRNB2CHRNA4GRIN1GRIN2BCYP11B1
SCHEMBL21257514 0.83 CHRNB2 (0.43) CHRNB2CHRNA4GRIN2DGRIN3BGRIN1
SCHEMBL17828152 0.83 GRIN1 (0.41) CHRNB2CHRNA4GRIN1GRIN2BPRMT5
SCHEMBL27599231 0.81 CHRNB2 (0.49) CHRNB2CHRNA4GRIN2DGRIN3BGRIN1
SCHEMBL91481 0.78 CYP11B1 (0.46) CHRNB2CHRNA4CYP11B1CYP11B2
SCHEMBL8184696 0.76 CHRNB2 (0.51) CHRNB2CHRNA4CYP11B1CYP11B2CHRNB4
SCHEMBL14030090 0.75 CHRNB2 (0.45) CHRNB2CHRNA4GGPS1
SCHEMBL14030092 0.75 CHRNB2 (0.45) CHRNB2CHRNA4GGPS1
SCHEMBL2215868 0.74 CHRNB2 (0.43) CHRNB2CHRNA4CYP11B1CYP11B2GGPS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3837251-B1 ASK1 INHIBITING AGENTS BIOGEN MA INC (US) 2023-06-21 EP disclosed
US-20230032020-A1 SMALL-MOLECULE COVALENT INHIBITION OF RAL GTPASES NATIONAL INSTITUTES OF HEALTH 2023-02-02 US disclosed
US-20200102311-A1 Monoacylglycerol Lipase Modulators JANSSEN PHARMACEUTICA NV (BE) 2020-04-02 US disclosed
US-10329270-B2 Heteroaryl compounds as BTK inhibitors and uses thereof MERCK PATENT GMBH (DE) 2019-06-25 US disclosed
US-9586951-B2 Morpholine derivative or salt thereof FUJIFILM CORPORATION (JP) 2017-03-07 US disclosed
US-9586951-B2 Morpholine derivative or salt thereof FUJIFILM CORPORATION (JP) 2017-03-07 US disclosed
EP-3042900-A1 NOVEL MORPHOLINE DERIVATIVE OR SALT THEREOF Fujifilm Corporation (JP) 2016-07-13 EP disclosed
US-20160168139-A1 NOVEL MORPHOLINE DERIVATIVE OR SALT THEREOF FUJIFILM CORPORATION (JP) 2016-06-16 US disclosed
US-20160168139-A1 NOVEL MORPHOLINE DERIVATIVE OR SALT THEREOF FUJIFILM CORPORATION (JP) 2016-06-16 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 (4 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-20230032020-A1 SMALL-MOLECULE COVALENT INHIBITION OF RAL GTPASES RALA, KRAS, HRAS CHRNB2 4389/4885CHRNA4 4481/4885GRIN2D 4533/4885
US-20160168139-A1 NOVEL MORPHOLINE DERIVATIVE OR SALT THEREOF PRMT7, RBBP7, RER1 CHRNB2 509/4885CHRNA4 454/4885GRIN2D 1225/4885
US-20200102311-A1 Monoacylglycerol Lipase Modulators MGLL, LPL, PNLIP CHRNB2 388/4885CHRNA4 459/4885GRIN2D 326/4885
US-10329270-B2 Heteroaryl compounds as BTK inhibitors and uses thereof BTK, SYK, LCK CHRNB2 4654/4885CHRNA4 4740/4885GRIN2D 3900/4885

“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.