SCHEMBL1036112

SCHEMBL1036112

N#Cc1ccc(N[C@@H]2CCN(C(=O)NC3CC4CCC(C3)N4)C2)nc1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CCNK O75909 2/20 0.53
▸ CDK12 Q9NYV4 2/20 0.53
▸ CYP3A4 P08684 2/20 0.51
▸ CYP2D6 P10635 2/20 0.51
▸ CYP2C9 P11712 2/20 0.51
▸ HSD11B1 P28845 2/20 0.51
▸ HSD11B2 P80365 1/20 0.51
▸ CCR6 P51684 7/20 0.48
▸ JAK3 P52333 2/20 0.48
▸ JAK2 O60674 1/20 0.48
▸ DPP4 P27487 4/20 0.47
▸ DPP8 Q6V1X1 1/20 0.47
▸ DPP9 Q86TI2 1/20 0.47
▸ PRKAA2 P54646 1/20 0.42
▸ IRAK4 Q9NWZ3 1/20 0.42
▸ USP30 Q70CQ3 1/20 0.42

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
Hydrochloric Acid SCHEMBL1035633 0.99 CCNK (0.52) CCNKCDK12CYP3A4CYP2D6CYP2C9
SCHEMBL12596715 0.84 CYP3A4 (0.61) CCNKCDK12CYP3A4CYP2D6CYP2C9
SCHEMBL1032336 0.83 CYP3A4 (0.53) CCNKCDK12CYP3A4CYP2D6CYP2C9
SCHEMBL1032334 0.83 CYP3A4 (0.53) CCNKCDK12CYP3A4CYP2D6CYP2C9
SCHEMBL1036231 0.82 HSD11B1 (0.58) CCNKCDK12CYP3A4CYP2D6CYP2C9
SCHEMBL1036229 0.82 HSD11B1 (0.58) CCNKCDK12CYP3A4CYP2D6CYP2C9
SCHEMBL1035237 0.82 CCNK (0.49) CCNKCDK12CYP3A4CYP2D6CYP2C9
SCHEMBL23295753 0.81 CCNK (0.62) CCNKCDK12CYP3A4CYP2D6CYP2C9
SCHEMBL28559099 0.81 CCNK (0.62) CCNKCDK12CYP3A4CYP2D6CYP2C9
SCHEMBL1030774 0.79 GPR119 (0.49) CCNKCDK12CYP3A4CYP2D6CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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
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
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 (2 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-20130244994-A1 CARBAMATE AND UREA INHIBITORS OF 11BETA-HYDROXYSTEROID DEHYDROGENASE 1 HSD11B1, HSD3B1, HSD17B1 CCNK 2471/4885CDK12 1455/4885CYP3A4 98/4885
US-20110112062-A1 Carbamate And Urea Inhibitors Of 11Beta-Hydroxysteroid Dehydrogenase 1 HSD11B1, HSD3B1, HSD17B1 CCNK 1926/4885CDK12 1566/4885CYP3A4 54/4885

“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.

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