SCHEMBL12596703

SCHEMBL12596703

N#Cc1ccc(N[C@@H]2CCNC2)cc1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PRKCI P41743 1/20 0.44
PDPK1 O15530 1/20 0.43
RPS6KB1 P23443 1/20 0.43
DPP4 P27487 2/20 0.43
CHEK1 O14757 1/20 0.42
AXL P30530 4/20 0.42
EPHX1 P07099 1/20 0.41
KDM1A O60341 2/20 0.40
CCR6 P51684 1/20 0.40
CTSL P07711 1/20 0.40
CTSB P07858 1/20 0.40
CTSS P25774 1/20 0.40
CTSK P43235 1/20 0.40
PLK4 O00444 1/20 0.40

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 SCHEMBL1032874 0.98 PRKCI (0.43) PRKCIPDPK1RPS6KB1DPP4CHEK1
Hydrochloric Acid SCHEMBL1032875 0.98 PRKCI (0.43) PRKCIPDPK1RPS6KB1DPP4CHEK1
SCHEMBL4410043 0.90 PDPK1 (0.53) PDPK1RPS6KB1DPP4CHEK1EPHX1
SCHEMBL377685 0.89 CTSS (0.48) DPP4CHEK1EPHX1CCR6CTSL
Hydrochloric Acid SCHEMBL23302911 0.88 CTSS (0.47) DPP4CHEK1EPHX1CCR6CTSL
Hydrochloric Acid SCHEMBL383062 0.88 CTSS (0.47) DPP4CHEK1EPHX1CCR6CTSL
SCHEMBL21887081 0.87 DPP4 (0.43) DPP4EPHX1CCR6CTSSCTSK
SCHEMBL12733191 0.81 CCR6 (0.49) DPP4EPHX1CCR6CTSSCTSK
SCHEMBL21460253 0.81 DRD2 (0.49) PRKCIAXLCTSLCTSBCTSS
SCHEMBL4131760 0.79 ITK (0.50) PRKCIAXLPLK4

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
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

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 PRKCI 848/4885PDPK1 2008/4885RPS6KB1 2382/4885
US-20110112062-A1 Carbamate And Urea Inhibitors Of 11Beta-Hydroxysteroid Dehydrogenase 1 HSD11B1, HSD3B1, HSD17B1 PRKCI 994/4885PDPK1 2261/4885RPS6KB1 2441/4885

“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.