SCHEMBL2636668

SCHEMBL2636668

COc1cnc(C2CCN(Cc3ccccc3)C2)nc1

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
SIGMAR1 Q99720 3/20 0.51
HRH2 P25021 1/20 0.51
DRD4 P21917 4/20 0.50
ACHE P22303 2/20 0.50
MCHR1 Q99705 1/20 0.48
DRD2 P14416 1/20 0.48
DRD3 P35462 1/20 0.48
BACE1 P56817 1/20 0.48
USP30 Q70CQ3 1/20 0.47

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
SCHEMBL2636257 0.82 ACHE (0.50) MEN1KMT2ADRD4ACHEDRD2
SCHEMBL2636820 0.82 MCHR1 (0.49) MEN1KMT2ADRD4ACHEMCHR1
SCHEMBL1740324 0.82 CYP2D6 (0.52) MEN1KMT2ASIGMAR1DRD4ACHE
SCHEMBL6360566 0.80 SIGMAR1 (0.63) MEN1KMT2ASIGMAR1HRH2DRD4
SCHEMBL12068366 0.79 ACHE (0.57) MEN1KMT2ASIGMAR1DRD4ACHE
SCHEMBL13490597 0.78 HRH2 (0.56) SIGMAR1HRH2
SCHEMBL22928142 0.76 DRD2 (0.62) MEN1KMT2ASIGMAR1ACHEMCHR1
SCHEMBL6353029 0.76 DRD2 (0.62) MEN1KMT2ASIGMAR1ACHEMCHR1
SCHEMBL28172286 0.75 SIGMAR1 (0.69) MEN1KMT2ASIGMAR1ACHEDRD2
SCHEMBL23507478 0.74 KMT2A (0.64) MEN1KMT2ASIGMAR1DRD4ACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9163012-B2 Carbamate and urea inhibitors of 11β-hydroxysteroid dehydrogenase 1 VITAE PHARMACEUTICALS, INC. (US) 2015-10-20 US disclosed
US-9163012-B2 Carbamate and urea inhibitors of 11β-hydroxysteroid dehydrogenase 1 VITAE PHARMACEUTICALS, INC. (US) 2015-10-20 US disclosed
US-9163012-B2 Carbamate and urea inhibitors of 11β-hydroxysteroid dehydrogenase 1 VITAE PHARMACEUTICALS, INC. (US) 2015-10-20 US disclosed
EP-2438043-A1 CARBAMATE AND UREA INHIBITORS OF 11BETA-HYDROXYSTEROID DEHYDROGENASE 1 Vitae Pharmaceuticals, Inc. (US) 2012-04-11 EP disclosed
US-20110053943-A1 CARBAMATE AND UREA INHIBITORS OF 11ß-HYDROXYSTEROID DEHYDROGENASE 1 VITAE PHARMACEUTICALS, INC. 2011-03-03 US disclosed
US-20110053943-A1 CARBAMATE AND UREA INHIBITORS OF 11ß-HYDROXYSTEROID DEHYDROGENASE 1 VITAE PHARMACEUTICALS, INC. 2011-03-03 US disclosed
US-20110053943-A1 CARBAMATE AND UREA INHIBITORS OF 11ß-HYDROXYSTEROID DEHYDROGENASE 1 VITAE PHARMACEUTICALS, INC. 2011-03-03 US disclosed
WO-2010141424-A1 CARBAMATE AND UREA INHIBITORS OF 11BETA-HYDROXYSTEROID DEHYDROGENASE 1 VITAE PHARMACEUTICALS, INC. (US) 2010-12-09 WO disclosed
WO-2010141424-A1 CARBAMATE AND UREA INHIBITORS OF 11BETA-HYDROXYSTEROID DEHYDROGENASE 1 VITAE PHARMACEUTICALS, INC. (US) 2010-12-09 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 (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-20110053943-A1 CARBAMATE AND UREA INHIBITORS OF 11ß-HYDROXYSTEROID DEHYDROGENASE 1 HSD11B1, HSD11B2, HSD3B1 MEN1 897/4885KMT2A 2806/4885SIGMAR1 1542/4885

“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.