SCHEMBL3527381

SCHEMBL3527381

Cn1c(C2CC2)c(C2CC2)c(=O)n1-c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 2/20 0.50
ALOX15 P16050 2/20 0.45
ALDH1A1 P00352 2/20 0.45
BCHE P06276 1/20 0.45
PTGS2 P35354 1/20 0.45
LMNA P02545 2/20 0.44
ADORA3 P0DMS8 1/20 0.44
TSHR P16473 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
CYP1A2 P05177 2/20 0.43
NAPRT Q6XQN6 2/20 0.43
THRB P10828 1/20 0.43
KMT2A Q03164 2/20 0.41
KDM4E B2RXH2 2/20 0.41
TP53 P04637 1/20 0.40
HSP90AA1 P07900 1/20 0.40
HSP90AB1 P08238 1/20 0.40
MAPK1 P28482 1/20 0.40
MEN1 O00255 1/20 0.40
MAPT P10636 1/20 0.40

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
SCHEMBL3529297 0.95 HSD11B1 (0.47) HSD11B1ALOX15ALDH1A1BCHEPTGS2
SCHEMBL3527433 0.84 HSD11B1 (0.41) HSD11B1ALOX15PTGS2LMNATSHR
SCHEMBL3525763 0.84 ALOX15 (0.57) HSD11B1ALOX15ALDH1A1BCHEPTGS2
SCHEMBL3529938 0.84 HSD11B1 (0.40) HSD11B1BCHESMN1; SMN2KMT2AMEN1
SCHEMBL3532450 0.83 HSD11B1 (0.42) HSD11B1ALDH1A1TSHRKMT2AMEN1
SCHEMBL3526100 0.83 ALDH1A1 (0.44) HSD11B1ALOX15ALDH1A1BCHEPTGS2
SCHEMBL3530099 0.80 LMNA (0.63) ALDH1A1PTGS2LMNAADORA3TSHR
SCHEMBL3529557 0.80 MAPT (0.41) HSD11B1ALDH1A1LMNATSHRSMN1; SMN2
SCHEMBL3525729 0.80 HSD11B1 (0.53) HSD11B1ALDH1A1SMN1; SMN2KMT2AKDM4E
SCHEMBL3526739 0.79 HSD11B1 (0.46) HSD11B1ALOX15ALDH1A1BCHEPTGS2

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7652057-B2 Pyrazolones as 11b-HSD1 inhibitors for diabetes HOFFMAN-LA ROCHE INC. (US) 2010-01-26 US claimed
EP-1924562-A2 PYRAZOLONE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2008-05-28 EP claimed
WO-2007025880-A2 PYRAZOLONE DERIVATIVES AS 11-BETA HSD1 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2007-03-08 WO claimed
US-20070049574-A1 New pyrazolones as 11b-HSD1 inhibitors for diabetes F. HOFFMANN-LA ROCHE AG (CH) 2007-03-01 US claimed
US-10894054-B2 FXR agonist compositions for combination therapy INTERCEPT PHARMACEUTICALS, INC. (US) 2021-01-19 US disclosed
US-20180117065-A1 PHARMACEUTICAL COMPOSITIONS FOR COMBINATION THERAPY INTERCEPT PHARMACEUTICALS, INC. 2018-05-03 US disclosed
US-20180117065-A1 PHARMACEUTICAL COMPOSITIONS FOR COMBINATION THERAPY INTERCEPT PHARMACEUTICALS, INC. 2018-05-03 US disclosed
WO-2016164413-A1 PHARMACEUTICAL COMPOSITIONS FOR COMBINATION THERAPY INTERCEPT PHARMACEUTICALS, INC. (US) 2016-10-13 WO disclosed
US-8871208-B2 11-β-hydroxysteroid dehydrogenase type 1 (11β-HSD1) inhibitors and uses thereof ABBVIE INC. (US) 2014-10-28 US disclosed
US-8871208-B2 11-β-hydroxysteroid dehydrogenase type 1 (11β-HSD1) inhibitors and uses thereof ABBVIE INC. (US) 2014-10-28 US disclosed
US-20110159005-A1 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 (11BETA-HSD1) INHIBITORS AND USES THEREOF ABBOTT LABORATORIES (US) 2011-06-30 US disclosed
US-20110159005-A1 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 (11BETA-HSD1) INHIBITORS AND USES THEREOF ABBOTT LABORATORIES (US) 2011-06-30 US disclosed
US-7652057-B2 Pyrazolones as 11b-HSD1 inhibitors for diabetes HOFFMAN-LA ROCHE INC. (US) 2010-01-26 US disclosed
EP-1924562-A2 PYRAZOLONE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2008-05-28 EP disclosed
WO-2007025880-A2 PYRAZOLONE DERIVATIVES AS 11-BETA HSD1 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2007-03-08 WO disclosed
US-20070049574-A1 New pyrazolones as 11b-HSD1 inhibitors for diabetes F. HOFFMANN-LA ROCHE AG (CH) 2007-03-01 US 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 (4 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-10894054-B2 FXR agonist compositions for combination therapy GPR119, FXR1, NR1H4 HSD11B1 241/4885ALOX15 2146/4885ALDH1A1 4145/4885
US-20070049574-A1 New pyrazolones as 11b-HSD1 inhibitors for diabetes HSD11B1, HSD17B1, HSD17B7 HSD11B1 1/4885ALOX15 743/4885ALDH1A1 105/4885
US-20180117065-A1 PHARMACEUTICAL COMPOSITIONS FOR COMBINATION THERAPY GPR119, FABP1, SLC10A1 HSD11B1 214/4885ALOX15 1701/4885ALDH1A1 3807/4885
US-20110159005-A1 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 (11BETA-HSD1) INHIBITORS AND USES THEREOF HSD11B1, HSD17B1, HSD11B2 HSD11B1 1/4885ALOX15 160/4885ALDH1A1 58/4885

“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.