SCHEMBL1407018

SCHEMBL1407018

CC(C)(C)OC(=O)NN=C1CCC(O[Si](C)(C)C(C)(C)C)CC1

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.59
▸ KMT2A Q03164 1/20 0.59
▸ KDM4E B2RXH2 6/20 0.34
▸ SMN1; SMN2 Q16637 3/20 0.34
▸ MAPT P10636 3/20 0.34
▸ RAB9A P51151 3/20 0.34
▸ NPC1 O15118 2/20 0.34
▸ RECQL P46063 1/20 0.34
▸ POLB P06746 2/20 0.32
▸ GAA P10253 2/20 0.32
▸ HTT P42858 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ MIF P14174 1/20 0.32
▸ GFER P55789 1/20 0.32

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
SCHEMBL25380945 0.87 ALDH1A1 (0.50) ALDH1A1KMT2AKDM4ESMN1; SMN2MAPT
SCHEMBL5230106 0.79 ALDH1A1 (0.69) ALDH1A1KMT2AKDM4ESMN1; SMN2MAPT
SCHEMBL4861309 0.77 ALDH1A1 (0.68) ALDH1A1KMT2AKDM4ESMN1; SMN2MAPT
SCHEMBL573354 0.75 ALDH1A1 (0.63) ALDH1A1KMT2AKDM4ERAB9ARECQL
SCHEMBL272269 0.75 ALDH1A1 (0.63) ALDH1A1KMT2AKDM4ESMN1; SMN2MAPT
SCHEMBL20583785 0.74 ALDH1A1 (0.56) ALDH1A1KMT2AKDM4ESMN1; SMN2MAPT
SCHEMBL1406859 0.74 KMT2A (0.58) ALDH1A1KMT2AKDM4ESMN1; SMN2MAPT
SCHEMBL12779155 0.74 ALDH1A1 (0.61) ALDH1A1KMT2AKDM4ERAB9ARECQL
SCHEMBL182243 0.74 ALDH1A1 (0.61) ALDH1A1KMT2AKDM4ERAB9ARECQL
SCHEMBL13052382 0.73 BTK (0.46) GAA

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 ALDH1A1 132/4885KMT2A 3407/4885KDM4E 2951/4885

“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.

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