SCHEMBL2637151

SCHEMBL2637151

Cc1nc2cc(C#N)ccc2n1C1CCNC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 4/20 0.50
MCHR1 Q99705 3/20 0.48
KCNH2 Q12809 1/20 0.46
KDM4E B2RXH2 2/20 0.45
ALDH1A1 P00352 2/20 0.45
MAPT P10636 1/20 0.45
GFER P55789 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
HSD11B1 P28845 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
KDM1A O60341 1/20 0.42
CYP11B1 P15538 3/20 0.41
JAK2 O60674 1/20 0.40
JAK1 P23458 1/20 0.40
CCNT1 O60563 1/20 0.40
CDK9 P50750 1/20 0.40
HDAC1 Q13547 2/20 0.40
GLA P06280 1/20 0.39
GAA P10253 1/20 0.39
SLC6A2 P23975 2/20 0.39

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
SCHEMBL2637153 1.00 CYP11B2 (0.50) CYP11B2MCHR1KCNH2KDM4EALDH1A1
SCHEMBL1014458 0.81 CYP11B2 (0.57) CYP11B2MCHR1KCNH2KDM4EALDH1A1
SCHEMBL1014460 0.81 CYP11B2 (0.57) CYP11B2MCHR1KCNH2KDM4EALDH1A1
SCHEMBL15344930 0.77 CYP11B2 (0.44) CYP11B2MCHR1KDM4EALDH1A1MAPT
SCHEMBL15344971 0.77 CYP11B2 (0.44) CYP11B2MCHR1KDM4EALDH1A1MAPT
Hydrochloric Acid SCHEMBL31587373 0.74 CCR3 (0.62) CYP11B2MCHR1KCNH2KDM4EALDH1A1
SCHEMBL15341821 0.73 JAK2 (0.39) KDM4EALDH1A1MAPTGFERTDP1
SCHEMBL15341824 0.73 JAK2 (0.39) KDM4EALDH1A1MAPTGFERTDP1
SCHEMBL28593699 0.73 KDM4E (0.48) CYP11B2MCHR1KCNH2KDM4EALDH1A1
SCHEMBL24463604 0.72 KDM4E (0.55) CYP11B2MCHR1KCNH2KDM4EALDH1A1

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 4 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
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
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 CYP11B2 22/4885MCHR1 2913/4885KCNH2 4418/4885

“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.