SCHEMBL745671

SCHEMBL745671

CC(C)(C)CC(=O)N1CCC2(CCNC2=O)CC1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
OTUD7B Q6GQQ9 1/20 0.40
CALCRL Q16602 1/20 0.37
NAMPT P43490 3/20 0.36
SPR P35270 1/20 0.36
CRBN Q96SW2 1/20 0.34
CDK8 P49336 6/20 0.34
CCNC P24863 5/20 0.34
JAK1 P23458 2/20 0.34
TYK2 P29597 2/20 0.34
CDK19 Q9BWU1 2/20 0.34
FAAH O00519 1/20 0.34
JAK2 O60674 1/20 0.33
JAK3 P52333 1/20 0.33
IDO1 P14902 1/20 0.33
DPP4 P27487 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
SCHEMBL19852884 0.90 OTUD7B (0.39) OTUD7BCALCRLNAMPTSPRCDK8
SCHEMBL18702126 0.80 OTUD7B (0.43) OTUD7BCALCRLSPRCDK8CCNC
SCHEMBL19852880 0.80 OTUD7B (0.43) OTUD7BCALCRLSPRCRBNCDK8
SCHEMBL19852881 0.80 OTUD7B (0.43) OTUD7BCALCRLSPRCRBNCDK8
SCHEMBL29360897 0.80 OTUD7B (0.43) OTUD7BCALCRLSPRCDK8CCNC
SCHEMBL24339014 0.78 OTUD7B (0.39) OTUD7BCALCRLSPRCRBNCDK8
SCHEMBL18711886 0.78 OTUD7B (0.46) OTUD7BSPRCDK8CCNCJAK1
SCHEMBL2338577 0.77 CCNC (0.49) OTUD7BCRBNCDK8CCNC
SCHEMBL4072997 0.76 OTUD7B (0.47) OTUD7BCALCRLSPRCRBNCDK8
SCHEMBL19852883 0.75 ITGB3 (0.42) OTUD7BCALCRL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2430023-B1 AZACYCLIC SPIRODERIVATIVES AS HSL INHIBITORS HOFFMANN LA ROCHE (CH) 2013-12-11 EP disclosed
US-8329904-B2 Azacyclic derivatives HOFFMANN-LA ROCHE INC. (US) 2012-12-11 US disclosed
US-8329904-B2 Azacyclic derivatives HOFFMANN-LA ROCHE INC. (US) 2012-12-11 US disclosed
US-8329904-B2 Azacyclic derivatives HOFFMANN-LA ROCHE INC. (US) 2012-12-11 US disclosed
EP-2430023-A1 AZACYCLIC SPIRODERIVATIVES AS HSL INHIBITORS F. Hoffmann-La Roche AG (CH) 2012-03-21 EP disclosed
WO-2010130665-A1 AZACYCLIC SPIRODERIVATIVES AS HSL INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2010-11-18 WO disclosed
WO-2010130665-A1 AZACYCLIC SPIRODERIVATIVES AS HSL INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2010-11-18 WO disclosed
US-20100292212-A1 NEW AZACYCLIC DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2010-11-18 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-20100292212-A1 NEW AZACYCLIC DERIVATIVES GPR119, LDLR, LPL OTUD7B 1916/4885CALCRL 768/4885NAMPT 595/4885

“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.