SCHEMBL1032964

SCHEMBL1032964

NC(=O)[C@]12CC3[CH][C@@H](CC(C3)C1)C2

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.39
CRHBP P24387 1/20 0.39
HTT P42858 1/20 0.39
CRHR2 Q13324 1/20 0.39
MCOLN3 Q8TDD5 1/20 0.39
HSD11B1 P28845 13/20 0.37
HSD11B2 P80365 3/20 0.35
TSHR P16473 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
RAB9A P51151 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
XBP1 P17861 1/20 0.33

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
SCHEMBL14768238 1.00 ALDH1A1 (0.39) ALDH1A1CRHBPHTTCRHR2MCOLN3
SCHEMBL14768237 1.00 ALDH1A1 (0.39) ALDH1A1CRHBPHTTCRHR2MCOLN3
SCHEMBL1032965 1.00 ALDH1A1 (0.39) ALDH1A1CRHBPHTTCRHR2MCOLN3
SCHEMBL1032963 1.00 ALDH1A1 (0.39) ALDH1A1CRHBPHTTCRHR2MCOLN3
SCHEMBL176523 0.82 ALDH1A1 (0.52) ALDH1A1CRHBPHTTCRHR2MCOLN3
SCHEMBL6877661 0.82 ALDH1A1 (0.52) ALDH1A1CRHBPHTTCRHR2MCOLN3
SCHEMBL1033374 0.81 KDM4E (0.37) ALDH1A1HTTHSD11B1HSD11B2TSHR
SCHEMBL7627478 0.80 ALDH1A1 (0.50) ALDH1A1CRHBPHTTCRHR2MCOLN3
Hydrochloric Acid SCHEMBL7936029 0.80 ALDH1A1 (0.50) ALDH1A1CRHBPHTTCRHR2MCOLN3
SCHEMBL16038530 0.77

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 5 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-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
EP-2276730-A2 CARBAMATE AND UREA INHIBITORS OF 11BETA-HYDROXYSTEROID DEHYDROGENASE 1 Vitae Pharmaceuticals, Inc. (US) 2011-01-26 EP disclosed
WO-2009131669-A2 CARBAMATE AND UREA INHIBITORS OF 11BETA-HYDROXYSTEROID DEHYDROGENASE 1 VITAE PHARMACEUTICALS, INC. (US) 2009-10-29 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-20130244994-A1 CARBAMATE AND UREA INHIBITORS OF 11BETA-HYDROXYSTEROID DEHYDROGENASE 1 HSD11B1, HSD3B1, HSD17B1 ALDH1A1 236/4885CRHBP 429/4885HTT 2995/4885

“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.