SCHEMBL1031984

SCHEMBL1031984

COC(=O)C12CC3[CH]C(CC(C3)C1)C2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLA P06280 1/20 0.43
MAPT P10636 2/20 0.41
GAA P10253 1/20 0.41
XBP1 P17861 1/20 0.41
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 5/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
NPSR1 Q6W5P4 1/20 0.39
TSHR P16473 1/20 0.38
SCN1A P35498 1/20 0.38
SCN2A Q99250 1/20 0.38
SCN3A Q9NY46 1/20 0.38
CYP17A1 P05093 3/20 0.38
CYP19A1 P11511 3/20 0.38
P2RX7 Q99572 1/20 0.38
HPGD P15428 1/20 0.38
LMNA P02545 1/20 0.37
RAB9A P51151 1/20 0.37
TOP2A P11388 1/20 0.36

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
SCHEMBL905300 0.84 GLA (0.57) GLAMAPTGAAXBP1ALDH1A1
SCHEMBL17586310 0.80
SCHEMBL15831171 0.79 GLA (0.47) GLAMAPTGAAXBP1ALDH1A1
SCHEMBL12558822 0.77 GLA (0.46) GLAMAPTGAAXBP1ALDH1A1
SCHEMBL1033374 0.76 KDM4E (0.37) MAPTGAAXBP1KDM4EALDH1A1
SCHEMBL1032963 0.75 ALDH1A1 (0.39) MAPTGAAXBP1ALDH1A1MEN1
SCHEMBL1032964 0.75 ALDH1A1 (0.39) MAPTGAAXBP1ALDH1A1MEN1
SCHEMBL14768238 0.75 ALDH1A1 (0.39) MAPTGAAXBP1ALDH1A1MEN1
SCHEMBL1032965 0.75 ALDH1A1 (0.39) MAPTGAAXBP1ALDH1A1MEN1
SCHEMBL14768237 0.75 ALDH1A1 (0.39) MAPTGAAXBP1ALDH1A1MEN1

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 8 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 claimed
US-20130244994-A1 CARBAMATE AND UREA INHIBITORS OF 11BETA-HYDROXYSTEROID DEHYDROGENASE 1 CLAREMON DAVID A (US) 2013-09-19 US claimed
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
US-20110112062-A1 Carbamate And Urea Inhibitors Of 11Beta-Hydroxysteroid Dehydrogenase 1 VITAE PHARMACEUTICALS, INC 2011-05-12 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 (2 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 GLA 1968/4885MAPT 1623/4885GAA 1228/4885
US-20110112062-A1 Carbamate And Urea Inhibitors Of 11Beta-Hydroxysteroid Dehydrogenase 1 HSD11B1, HSD3B1, HSD17B1 GLA 1520/4885MAPT 2508/4885GAA 1540/4885

“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.