SCHEMBL1406968

SCHEMBL1406968

CCOC(=O)c1cnn(C2CCCCC2)c1Cl

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.53
PDE4B Q07343 2/20 0.46
ALDH1A1 P00352 5/20 0.45
NPSR1 Q6W5P4 3/20 0.45
TSHR P16473 2/20 0.45
MAPT P10636 1/20 0.45
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
CNR2 P34972 1/20 0.43
OPRK1 P41145 4/20 0.43
MAPK1 P28482 2/20 0.43
KMT2A Q03164 2/20 0.42
AKR1C3 P42330 1/20 0.42
AKR1C2 P52895 1/20 0.42
MEN1 O00255 1/20 0.41

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
SCHEMBL1406792 0.99 LMNA (0.51) LMNAPDE4BALDH1A1NPSR1TSHR
Hydrochloric Acid SCHEMBL4715486 0.97 LMNA (0.51) LMNAPDE4BALDH1A1NPSR1TSHR
SCHEMBL1407209 0.96 LMNA (0.48) LMNAPDE4BALDH1A1NPSR1TSHR
SCHEMBL1407037 0.93 LMNA (0.47) LMNAPDE4BALDH1A1NPSR1TSHR
SCHEMBL4722879 0.92 LMNA (0.57) LMNAPDE4BALDH1A1TSHRMAPT
SCHEMBL1407121 0.88 LMNA (0.44) LMNAALDH1A1NPSR1TSHRNPC1
SCHEMBL1407122 0.88 LMNA (0.44) LMNAALDH1A1NPSR1TSHRNPC1
SCHEMBL1406858 0.87 PDE4B (0.48) LMNAPDE4BMAPTOPRK1
SCHEMBL13848928 0.86 LMNA (0.55) LMNAPDE4BALDH1A1NPSR1TSHR
SCHEMBL17097772 0.86 HSD11B1 (0.45) LMNAALDH1A1NPSR1NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1999114-B1 PYRAZOLES AS 11-BETA-HSD-1 HOFFMANN LA ROCHE (CH) 2015-07-22 EP disclosed
EP-2295411-A1 Pyrazoles as 11-beta-hsd-1 F. Hoffmann-La Roche AG (CH) 2011-03-16 EP disclosed
US-7728029-B2 Adamantyl-pyrazole carboxamides as inhibitors of 11β-hdroxysteroid dehydrogenase HOFFMANN-LA ROCHE INC. (US) 2010-06-01 US disclosed
EP-1999114-A2 PYRAZOLES AS 11-BETA-HSD-1 F. Hoffmann-la Roche AG (CH) 2008-12-10 EP disclosed
WO-2007107470-A2 PYRAZOLES AS 11-BETA-HSD-1 F. HOFFMANN-LA ROCHE AG (CH) 2007-09-27 WO disclosed
US-20070225280-A1 Adamantyl-pyrazole carboxamides as inhibitors of 11B-hydroxysteroid dehydrogenase ANDERSON KEVIN WILLIAM 2007-09-27 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 (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-20070225280-A1 Adamantyl-pyrazole carboxamides as inhibitors of 11B-hydroxysteroid dehydrogenase HSD3B2, HSD3B1, HSD17B2 LMNA 2991/4885PDE4B 451/4885ALDH1A1 132/4885

“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.