SCHEMBL1036416

SCHEMBL1036416

CC(C)(C)OC(=O)N1CC[C@@H](Nc2ccc(C#N)cn2)C1

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.58
CYP2D6 P10635 2/20 0.58
CYP2C9 P11712 2/20 0.58
HSD11B1 P28845 2/20 0.58
HSD11B2 P80365 1/20 0.58
CCNK O75909 2/20 0.55
CDK12 Q9NYV4 2/20 0.55
GPR119 Q8TDV5 4/20 0.54
CCR6 P51684 4/20 0.52
PIK3CD O00329 2/20 0.52
USP30 Q70CQ3 2/20 0.51
IRAK4 Q9NWZ3 1/20 0.50
BTK Q06187 1/20 0.48
JAK2 O60674 1/20 0.48
JAK3 P52333 1/20 0.48

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
SCHEMBL1036415 1.00 CYP3A4 (0.58) CYP3A4CYP2D6CYP2C9HSD11B1HSD11B2
SCHEMBL23292365 1.00 CYP3A4 (0.58) CYP3A4CYP2D6CYP2C9HSD11B1HSD11B2
SCHEMBL1120230 0.94 CYP3A4 (0.52) CYP3A4CYP2D6CYP2C9HSD11B1HSD11B2
SCHEMBL1938685 0.94 GPR119 (0.60) CYP3A4CYP2D6CYP2C9HSD11B1HSD11B2
SCHEMBL31465059 0.91 GPR119 (0.49) CYP3A4CYP2D6CYP2C9HSD11B1HSD11B2
SCHEMBL21521679 0.91 GPR119 (0.49) CYP3A4CYP2D6CYP2C9HSD11B1HSD11B2
SCHEMBL12596718 0.87 CYP3A4 (0.55) CYP3A4CYP2D6CYP2C9HSD11B1HSD11B2
SCHEMBL1771088 0.87 CYP3A4 (0.55) CYP3A4CYP2D6CYP2C9HSD11B1HSD11B2
SCHEMBL1771089 0.87 CYP3A4 (0.55) CYP3A4CYP2D6CYP2C9HSD11B1HSD11B2
SCHEMBL1771092 0.87 CYP3A4 (0.55) CYP3A4CYP2D6CYP2C9HSD11B1HSD11B2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11358958-B2 2022-06-14 US disclosed
US-20210130340-A1 INHIBITORS OF CYCLIN-DEPENDENT KINASES KINNATE BIOPHARMA INC. 2021-05-06 US disclosed
CN-112638373-A Cyclin-dependent kinase inhibitors 金耐特生物制药公司 2021-04-09 CN disclosed
US-10894788-B2 Inhibitors of cyclin-dependent kinases KINNATE BIOPHARMA INC. (US) 2021-01-19 US disclosed
US-8828985-B2 Carbamate and urea inhibitors of 11-beta-hydroxysteroid dehydrogenase 1 VITAE PHARMACEUTICALS, INC. (US) 2014-09-09 US disclosed
US-8828985-B2 Carbamate and urea inhibitors of 11-beta-hydroxysteroid dehydrogenase 1 VITAE PHARMACEUTICALS, INC. (US) 2014-09-09 US disclosed
US-20130244994-A1 CARBAMATE AND UREA INHIBITORS OF 11BETA-HYDROXYSTEROID DEHYDROGENASE 1 CLAREMON DAVID A (US) 2013-09-19 US disclosed
US-20130244994-A1 CARBAMATE AND UREA INHIBITORS OF 11BETA-HYDROXYSTEROID DEHYDROGENASE 1 CLAREMON DAVID A (US) 2013-09-19 US disclosed
US-8399504-B2 Carbamate and urea inhibitors of 11Beta-hydroxysteroid dehydrogenase 1 VITAE PHARMACEUTICALS, INC. (US) 2013-03-19 US disclosed
US-20110112062-A1 Carbamate And Urea Inhibitors Of 11Beta-Hydroxysteroid Dehydrogenase 1 VITAE PHARMACEUTICALS, INC 2011-05-12 US disclosed
EP-2276730-A2 CARBAMATE AND UREA INHIBITORS OF 11BETA-HYDROXYSTEROID DEHYDROGENASE 1 Vitae Pharmaceuticals, Inc. (US) 2011-01-26 EP disclosed
WO-2009131669-A2 CARBAMATE AND UREA INHIBITORS OF 11BETA-HYDROXYSTEROID DEHYDROGENASE 1 VITAE PHARMACEUTICALS, INC. (US) 2009-10-29 WO 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 (5 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-11358958-B2 CDK2, CDK1, CDK6 CYP3A4 3706/4885CYP2D6 3363/4885CYP2C9 4133/4885
US-20210130340-A1 INHIBITORS OF CYCLIN-DEPENDENT KINASES CDK2, CCNK, CDK1 CYP3A4 4107/4885CYP2D6 3985/4885CYP2C9 4171/4885
US-10894788-B2 Inhibitors of cyclin-dependent kinases CDK2, CCNK, CDK1 CYP3A4 4107/4885CYP2D6 3985/4885CYP2C9 4171/4885
US-20130244994-A1 CARBAMATE AND UREA INHIBITORS OF 11BETA-HYDROXYSTEROID DEHYDROGENASE 1 HSD11B1, HSD3B1, HSD17B1 CYP3A4 98/4885CYP2D6 456/4885CYP2C9 145/4885
US-20110112062-A1 Carbamate And Urea Inhibitors Of 11Beta-Hydroxysteroid Dehydrogenase 1 HSD11B1, HSD3B1, HSD17B1 CYP3A4 54/4885CYP2D6 199/4885CYP2C9 92/4885

“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.