SCHEMBL799287

SCHEMBL799287

CC(C)Oc1cncc(C(C)C)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 3/20 0.43
CHRNA4 P43681 3/20 0.43
CYP11B1 P15538 2/20 0.41
CYP11B2 P19099 2/20 0.41
PIK3CD O00329 1/20 0.39
PIP5K1C O60331 1/20 0.39
PIK3CA P42336 1/20 0.39
PIK3CB P42338 1/20 0.39
PI4KA P42356 1/20 0.39
PIK3CG P48736 1/20 0.39
PI4KB Q9UBF8 1/20 0.39
CHRNB4 P30926 2/20 0.38
CHRNA3 P32297 2/20 0.38
CHRNB3 Q05901 2/20 0.38
CHRNA6 Q15825 2/20 0.38
CHRNA7 P36544 1/20 0.38
PRMT5 O14744 1/20 0.35
WDR77 Q9BQA1 1/20 0.35
FDPS P14324 1/20 0.33
NOS1 P29475 3/20 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
SCHEMBL27599231 0.84 CHRNB2 (0.49) CHRNB2CHRNA4CYP11B1CYP11B2PIK3CD
SCHEMBL25635024 0.84 CYP11B1 (0.33) CHRNB2CHRNA4CYP11B1CYP11B2CYP3A4
SCHEMBL25646482 0.84 CHRNB2 (0.32) CHRNB2CHRNA4CYP11B1CYP11B2CYP3A4
SCHEMBL10141617 0.84 HDAC6 (0.33) CHRNB2CHRNA4CYP11B1CYP11B2PRMT5
SCHEMBL23917658 0.83 CHRNB2 (0.36) CHRNB2CHRNA4CYP11B1CYP11B2PIK3CD
SCHEMBL21103558 0.81 CHRNB2 (0.33) CHRNB2CHRNA4CYP11B1CYP11B2NOS1
SCHEMBL84380 0.81 CYP3A4 (0.43) CHRNB2CHRNA4CYP11B1CYP11B2ALDH1A1
SCHEMBL12695010 0.77 CHRNB2 (0.44) CHRNB2CHRNA4CYP11B1CYP11B2PIK3CD
SCHEMBL12925127 0.77 CYP1A1 (0.47) CHRNB2CHRNA4CYP11B1CYP11B2PIK3CD
SCHEMBL725480 0.77 PRMT5 (0.34) CYP11B1CYP11B2PRMT5WDR77ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230242531-A1 Monoacylglycerol Lipase Modulators JANSSEN PHARMACEUTICA NV (BE) 2023-08-03 US disclosed
EP-3837251-B1 ASK1 INHIBITING AGENTS BIOGEN MA INC (US) 2023-06-21 EP disclosed
US-20210317103-A1 ASK1 INHIBITING AGENTS BIOGEN MA INC. 2021-10-14 US disclosed
WO-2021127486-A1 SMALL-MOLECULE COVALENT INHIBITION OF RAL GTPASES THE TRUSTEES OF INDIANA UNIVERSITY (US) 2021-06-24 WO disclosed
WO-2020036949-A1 ASK1 INHIBITING AGENTS BIOGEN MA INC. (US) 2020-02-20 WO disclosed
US-10206931-B2 Therapeutic compounds and uses thereof GENENTECH, INC. (US) 2019-02-19 US disclosed
US-10012650-B2 Assays for BTK inhibitors MERCK PATENT GMBH (DE) 2018-07-03 US disclosed
US-20170312292-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF WUXI APPTEC (SHANGHAI) CO. LTD (CN) 2017-11-02 US disclosed
US-20170312292-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF WUXI APPTEC (SHANGHAI) CO. LTD (CN) 2017-11-02 US disclosed
US-20160264548-A1 HETEROARYL COMPOUNDS AS BTK INHIBITORS AND USES THEREOF MERCK PATENT GMBH (DE) 2016-09-15 US disclosed
US-20160169894-A1 ASSAYS FOR BTK INHIBITORS MERCK PATENT GMBH (DE) 2016-06-16 US disclosed
US-8389557-B2 Triazole derivatives useful as Axl inhibitors RIGEL PHARMACEUTICALS, INC. (US) 2013-03-05 US disclosed
US-8389557-B2 Triazole derivatives useful as Axl inhibitors RIGEL PHARMACEUTICALS, INC. (US) 2013-03-05 US disclosed
US-20120071475-A1 UREA DERIVATIVES HAVING PI3K-INHIBITING ACTIVITY SHIONOGI & CO., LTD. (JP) 2012-03-22 US disclosed
US-20110082131-A1 TRIAZOLE DERIVATIVES USEFUL AS AXL INHIBITORS RIGEL PHARMACEUTICALS, INC. (US) 2011-04-07 US disclosed
US-7884119-B2 protein tyrosine kinase receptor inhibitors such as 3-amino -1-(1H-indol-5-yl)carbonyl-5-[4-2-(pyrrolidin-1-yl)ethoxy]phenylamino]-1H-1,2,4-triazole, used for treating diseases and conditions associated with neovascularization and/or cell proliferation RIGEL PHARMACEUTICALS, INC. (US) 2011-02-08 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 (9 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-20210317103-A1 ASK1 INHIBITING AGENTS MAP3K1, MAP3K6, MAP3K10 CHRNB2 4177/4885CHRNA4 4597/4885CYP11B1 1068/4885
US-20160264548-A1 HETEROARYL COMPOUNDS AS BTK INHIBITORS AND USES THEREOF BTK, SYK, LCK CHRNB2 4654/4885CHRNA4 4740/4885CYP11B1 3143/4885
US-20230242531-A1 Monoacylglycerol Lipase Modulators MGLL, LPL, PNLIP CHRNB2 388/4885CHRNA4 459/4885CYP11B1 1560/4885
US-20110082131-A1 TRIAZOLE DERIVATIVES USEFUL AS AXL INHIBITORS AXL, TYRO3, FLT3 CHRNB2 4067/4885CHRNA4 4672/4885CYP11B1 1366/4885
US-20160169894-A1 ASSAYS FOR BTK INHIBITORS BTK, SYK, LYN CHRNB2 4733/4885CHRNA4 4838/4885CYP11B1 4363/4885
US-10012650-B2 Assays for BTK inhibitors BTK, SYK, LYN CHRNB2 4733/4885CHRNA4 4838/4885CYP11B1 4363/4885
US-20170312292-A1 THERAPEUTIC COMPOUNDS AND USES THEREOF EP300, CREBBP, HDAC1 CHRNB2 2270/4885CHRNA4 2684/4885CYP11B1 1195/4885
US-10206931-B2 Therapeutic compounds and uses thereof EP300, CREBBP, HDAC1 CHRNB2 2270/4885CHRNA4 2684/4885CYP11B1 1195/4885
US-20120071475-A1 UREA DERIVATIVES HAVING PI3K-INHIBITING ACTIVITY MTOR, STAT3, SLC14A1 CHRNB2 4863/4885CHRNA4 4869/4885CYP11B1 2895/4885

“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.