SCHEMBL1402681

SCHEMBL1402681

CCOC(=O)c1cnn(-c2ccc(Cl)c(C(F)(F)F)c2)c1C(C)(C)C

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPC1 P48995 2/20 0.53
TRPC3 Q13507 2/20 0.53
STIM1 Q13586 2/20 0.53
ORAI1 Q96D31 2/20 0.53
STIM2 Q9P246 2/20 0.53
MAPT P10636 5/20 0.52
HTT P42858 1/20 0.48
BRAF P15056 2/20 0.46
ALDH1A1 P00352 7/20 0.45
RAB9A P51151 2/20 0.45
KDM4E B2RXH2 5/20 0.44
HPGD P15428 5/20 0.44
SMN1; SMN2 Q16637 4/20 0.44
L3MBTL1 Q9Y468 3/20 0.44
MEN1 O00255 3/20 0.44
GAA P10253 3/20 0.44
KMT2A Q03164 3/20 0.44
TDP1 Q9NUW8 1/20 0.44
TSHR P16473 1/20 0.44
NOTUM Q6P988 3/20 0.44

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
SCHEMBL1403581 0.85 NOTUM (0.54) MAPTALDH1A1RAB9ASMN1; SMN2L3MBTL1
SCHEMBL8345504 0.82 MAPT (0.62) TRPC1TRPC3STIM1ORAI1STIM2
SCHEMBL2325526 0.79 MAPT (0.76) TRPC1TRPC3STIM1ORAI1STIM2
SCHEMBL4678854 0.77 HTT (0.46) TRPC1TRPC3STIM1ORAI1STIM2
SCHEMBL30147804 0.77 TRPC1 (0.57) TRPC1TRPC3STIM1ORAI1STIM2
SCHEMBL21604950 0.77 TRPC1 (0.57) TRPC1TRPC3STIM1ORAI1STIM2
SCHEMBL1403244 0.76 HSD11B1 (0.60) TRPC1TRPC3STIM1ORAI1STIM2
SCHEMBL21419596 0.76 TRPC1 (0.68) TRPC1TRPC3STIM1ORAI1STIM2
SCHEMBL1194642 0.75 TRPC1 (0.67) TRPC1TRPC3STIM1ORAI1STIM2
SCHEMBL8345184 0.75 TRPC1 (0.67) TRPC1TRPC3STIM1ORAI1STIM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8344016-B2 Pyrazole derivatives as 11-beta-HSD1 inhibitors ASTRAZENECA AB (SE) 2013-01-01 US disclosed
US-8344016-B2 Pyrazole derivatives as 11-beta-HSD1 inhibitors ASTRAZENECA AB (SE) 2013-01-01 US disclosed
US-8344016-B2 Pyrazole derivatives as 11-beta-HSD1 inhibitors ASTRAZENECA AB (SE) 2013-01-01 US disclosed
US-20110224273-A1 Pyrazole Derivatives as 11-Beta-HSD1 Inhibitors ASTRAZENECA AB (SE) 2011-09-15 US disclosed
US-20110224273-A1 Pyrazole Derivatives as 11-Beta-HSD1 Inhibitors ASTRAZENECA AB (SE) 2011-09-15 US disclosed
US-20110224273-A1 Pyrazole Derivatives as 11-Beta-HSD1 Inhibitors ASTRAZENECA AB (SE) 2011-09-15 US disclosed
EP-2292228-A1 Pyrazole derivatives as 11-beta-HSD1 inhibitors AstraZeneca AB (Publ) (SE) 2011-03-09 EP disclosed
EP-2292228-A1 Pyrazole derivatives as 11-beta-HSD1 inhibitors AstraZeneca AB (Publ) (SE) 2011-03-09 EP disclosed
US-7816391-B2 4-[4-(2-adamantylcarbamoyl)-5-tert-butyl-pyrazol-1-yl]benzoic acid; hydroxysteroid reductase inhibitors; hydrolysis; metabolic syndromes ASTRAZENECA AB (SE) 2010-10-19 US disclosed
US-7816391-B2 4-[4-(2-adamantylcarbamoyl)-5-tert-butyl-pyrazol-1-yl]benzoic acid; hydroxysteroid reductase inhibitors; hydrolysis; metabolic syndromes ASTRAZENECA AB (SE) 2010-10-19 US disclosed
US-7816391-B2 4-[4-(2-adamantylcarbamoyl)-5-tert-butyl-pyrazol-1-yl]benzoic acid; hydroxysteroid reductase inhibitors; hydrolysis; metabolic syndromes ASTRAZENECA AB (SE) 2010-10-19 US disclosed
EP-2124937-A1 PYRAZOLE DERIVATIVES AS 11-BETA-HSD1 INHIBITORS AstraZeneca AB (SE) 2009-12-02 EP disclosed
US-20090221663-A1 PYRAZOLE DERIVATIVES AS 11-BETA-HSD1 INHIBITORS ASTRAZENECA AB (SE) 2009-09-03 US disclosed
US-20090221663-A1 PYRAZOLE DERIVATIVES AS 11-BETA-HSD1 INHIBITORS ASTRAZENECA AB (SE) 2009-09-03 US disclosed
US-20090221663-A1 PYRAZOLE DERIVATIVES AS 11-BETA-HSD1 INHIBITORS ASTRAZENECA AB (SE) 2009-09-03 US disclosed
WO-2008099145-A1 PYRAZOLE DERIVATIVES AS 11-BETA-HSD1 INHIBITORS ASTRAZENECA AB (SE) 2008-08-21 WO disclosed
WO-2008099145-A1 PYRAZOLE DERIVATIVES AS 11-BETA-HSD1 INHIBITORS ASTRAZENECA AB (SE) 2008-08-21 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-20110224273-A1 Pyrazole Derivatives as 11-Beta-HSD1 Inhibitors HSD11B1, HSD3B1, HSD11B2 TRPC1 4701/4885TRPC3 4652/4885STIM1 3152/4885
US-20090221663-A1 PYRAZOLE DERIVATIVES AS 11-BETA-HSD1 INHIBITORS HSD11B1, HSD3B1, HSD11B2 TRPC1 4701/4885TRPC3 4652/4885STIM1 3152/4885

“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.