SCHEMBL2637262

SCHEMBL2637262

CC(C)(C)OC(=O)N1CCCC1c1nc(-c2ccncc2)cs1

nearest known ligand 0.67

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 4/20 0.67
CPT1A P50416 6/20 0.58
CPT2 P23786 3/20 0.58
TRPV1 Q8NER1 7/20 0.53
USP30 Q70CQ3 3/20 0.52
UCHL1 P09936 2/20 0.52
CPT1B Q92523 3/20 0.48

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
SCHEMBL2637264 1.00 HSD11B1 (0.67) HSD11B1CPT1ACPT2TRPV1USP30
SCHEMBL2308799 0.97 HSD11B1 (0.63) HSD11B1CPT1ACPT2TRPV1USP30
SCHEMBL2308792 0.97 HSD11B1 (0.63) HSD11B1CPT1ACPT2TRPV1USP30
SCHEMBL4516295 0.91 CPT1A (0.61) HSD11B1CPT1ACPT2TRPV1USP30
SCHEMBL4516288 0.91 CPT1A (0.61) HSD11B1CPT1ACPT2TRPV1USP30
SCHEMBL1953343 0.89 HSD11B1 (0.55) HSD11B1CPT1ACPT2TRPV1USP30
SCHEMBL1953345 0.89 HSD11B1 (0.55) HSD11B1CPT1ACPT2TRPV1USP30
SCHEMBL2307678 0.88 CPT1A (0.66) HSD11B1CPT1ACPT2TRPV1CPT1B
SCHEMBL2307670 0.88 CPT1A (0.66) HSD11B1CPT1ACPT2TRPV1CPT1B
SCHEMBL2636456 0.88 HSD11B1 (0.69) HSD11B1CPT1ACPT2TRPV1USP30

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 HSD11B1 1/4885CPT1A 71/4885CPT2 1465/4885

“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.