SCHEMBL3063433

SCHEMBL3063433

O=C(NC12CC3CC(CC(C3)C1)C2)c1cnn(-c2ccccc2)c1NCc1cccnc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.49
CYP17A1 P05093 1/20 0.47
CYP19A1 P11511 1/20 0.47
HSD11B1 P28845 1/20 0.47
P2RX7 Q99572 1/20 0.46
CNR2 P34972 8/20 0.45
CNR1 P21554 4/20 0.45
MEN1 O00255 2/20 0.45
ALDH1A1 P00352 2/20 0.45
GAA P10253 2/20 0.45
KMT2A Q03164 2/20 0.45
HTT P42858 1/20 0.45
FAAH O00519 1/20 0.45
CASR P41180 4/20 0.44
EPHX2 P34913 2/20 0.43
MAPK1 P28482 1/20 0.43
KDM4E B2RXH2 1/20 0.43
NPC1 O15118 1/20 0.43
LMNA P02545 1/20 0.43
GLA P06280 1/20 0.43

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
SCHEMBL3076047 0.92 MAPK1 (0.51) TSHRCNR2CNR1ALDH1A1HTT
SCHEMBL3063431 0.84 HSD11B1 (0.50) HSD11B1MEN1ALDH1A1GAAKMT2A
SCHEMBL3070635 0.82 CNR2 (0.48) TSHRCNR2CNR1ALDH1A1HTT
SCHEMBL3067236 0.82 CASR (0.48) TSHRCNR2CNR1ALDH1A1HTT
SCHEMBL3074521 0.81 CNR2 (0.49) TSHRCNR2CNR1ALDH1A1HTT
SCHEMBL3080921 0.81 CNR2 (0.48) TSHRCNR2CNR1ALDH1A1HTT
SCHEMBL3073920 0.81 USP2 (0.53) MEN1ALDH1A1GAAKMT2AKDM4E
SCHEMBL3057487 0.80 CNR2 (0.50) CNR2CNR1CASR
SCHEMBL3063101 0.79 CNR2 (0.49) CNR2CNR1ALDH1A1HTTFAAH
SCHEMBL3066175 0.77 CNR2 (0.52) TSHRCNR2CNR1ALDH1A1HTT

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
EP-2178845-B1 INHIBITORS OF 11B-HYDROXYSTEROID DEHYDROGENASE HOFFMANN LA ROCHE (CH) 2013-06-19 EP claimed
EP-2178845-A2 INHIBITORS OF 11B-HYDROXYSTEROID DEHYDROGENASE F. Hoffmann-Roche AG (CH) 2010-04-28 EP claimed
WO-2009010416-A2 INHIBITORS OF 11B-HYDROXYSTEROID DEHYDROGENASE F. HOFFMANN-LA ROCHE AG (CH) 2009-01-22 WO claimed
EP-2178845-B1 INHIBITORS OF 11B-HYDROXYSTEROID DEHYDROGENASE HOFFMANN LA ROCHE (CH) 2013-06-19 EP disclosed
US-7790711-B2 Inhibitors of 11β-Hydroxysteroid Dehydrogenase HOFFMANN-LA ROCHE INC. (US) 2010-09-07 US disclosed
EP-2178845-A2 INHIBITORS OF 11B-HYDROXYSTEROID DEHYDROGENASE F. Hoffmann-Roche AG (CH) 2010-04-28 EP disclosed
US-20090023709-A1 Inhibitors of 11B-Hyrdoxysteroid Dehydrogenase GILLESPIE PAUL 2009-01-22 US disclosed
WO-2009010416-A2 INHIBITORS OF 11B-HYDROXYSTEROID DEHYDROGENASE F. HOFFMANN-LA ROCHE AG (CH) 2009-01-22 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-20090023709-A1 Inhibitors of 11B-Hyrdoxysteroid Dehydrogenase HSD17B1, HSD17B2, HSD11B1 TSHR 2797/4885CYP17A1 22/4885CYP19A1 121/4885

“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.