SCHEMBL2636697

SCHEMBL2636697

N#Cc1ccc2[nH]c(=O)n([C@@H]3CCNC3)c2c1

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PGR P06401 7/20 0.52
OPRM1 P35372 1/20 0.47
HSD11B1 P28845 1/20 0.45
TNKS O95271 7/20 0.45
TNKS2 Q9H2K2 1/20 0.42
HTR2A P28223 2/20 0.42
HTR2C P28335 2/20 0.42
HTR2B P41595 1/20 0.42
JAK2 O60674 1/20 0.41
JAK3 P52333 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
SCHEMBL2636696 1.00 PGR (0.52) PGROPRM1HSD11B1TNKSTNKS2
SCHEMBL31285840 0.92 PGR (0.57) PGROPRM1HSD11B1TNKSTNKS2
SCHEMBL7994264 0.92 PGR (0.57) PGROPRM1HSD11B1TNKSTNKS2
Hydrochloric Acid SCHEMBL16876811 0.91 PGR (0.56) PGROPRM1HSD11B1TNKSTNKS2
SCHEMBL2636830 0.90 TNKS (0.54) PGROPRM1HSD11B1TNKSTNKS2
SCHEMBL2636829 0.90 TNKS (0.54) PGROPRM1HSD11B1TNKSTNKS2
SCHEMBL20338373 0.88 PGR (0.60) PGROPRM1HSD11B1TNKSTNKS2
SCHEMBL4748990 0.82 CHRM1 (0.58) PGROPRM1TNKS
SCHEMBL4444315 0.82 TNKS (0.59) PGROPRM1HSD11B1TNKSTNKS2
Hydrochloric Acid SCHEMBL16876826 0.81 TNKS (0.58) PGROPRM1HSD11B1TNKSTNKS2

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 PGR 2737/4885OPRM1 3792/4885HSD11B1 1/4885

“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.