SCHEMBL1032334

SCHEMBL1032334

N#Cc1ccc(N[C@@H]2CCN(C(=O)NC3CC4CCC(C3)N4C(N)=O)C2)nc1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 2/20 0.53
▸ CYP2D6 P10635 2/20 0.53
▸ CYP2C9 P11712 2/20 0.53
▸ HSD11B1 P28845 2/20 0.53
▸ HSD11B2 P80365 1/20 0.53
▸ CCNK O75909 2/20 0.51
▸ CDK12 Q9NYV4 2/20 0.51
▸ JAK3 P52333 2/20 0.46
▸ JAK2 O60674 1/20 0.46
▸ CCR6 P51684 7/20 0.44
▸ HCRTR1 O43613 3/20 0.44
▸ HCRTR2 O43614 2/20 0.44
▸ DPP4 P27487 3/20 0.43
▸ DPP8 Q6V1X1 1/20 0.43
▸ DPP9 Q86TI2 1/20 0.43
▸ DPP7 Q9UHL4 1/20 0.41

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
SCHEMBL1032336 1.00 CYP3A4 (0.53) CYP3A4CYP2D6CYP2C9HSD11B1HSD11B2
SCHEMBL13658414 0.87 CYP3A4 (0.39) CYP3A4CYP2D6CYP2C9HSD11B1HSD11B2
SCHEMBL1030776 0.86 GPR119 (0.49) CYP3A4CYP2D6CYP2C9HSD11B1HSD11B2
SCHEMBL1030774 0.86 GPR119 (0.49) CYP3A4CYP2D6CYP2C9HSD11B1HSD11B2
SCHEMBL1035237 0.85 CCNK (0.49) CYP3A4CYP2D6CYP2C9HSD11B1HSD11B2
SCHEMBL12596717 0.85 CYP3A4 (0.63) CYP3A4CYP2D6CYP2C9HSD11B1HSD11B2
SCHEMBL1771813 0.85 CYP3A4 (0.63) CYP3A4CYP2D6CYP2C9HSD11B1HSD11B2
SCHEMBL1771809 0.85 CYP3A4 (0.63) CYP3A4CYP2D6CYP2C9HSD11B1HSD11B2
SCHEMBL1771811 0.85 CYP3A4 (0.63) CYP3A4CYP2D6CYP2C9HSD11B1HSD11B2
SCHEMBL1036112 0.83 CCNK (0.53) 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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8399504-B2 Carbamate and urea inhibitors of 11Beta-hydroxysteroid dehydrogenase 1 VITAE PHARMACEUTICALS, INC. (US) 2013-03-19 — — US claimed
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

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 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.

Send feedback