SCHEMBL8545215

SCHEMBL8545215

CC(C)(C)[Si](C)(C)OCc1ccc(C(=O)O)cn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.46
HCAR3 P49019 11/20 0.43
P4HA1 P13674 2/20 0.43
P4HTM Q9NXG6 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
MIF P14174 1/20 0.42
GABRP O00591 1/20 0.41
GABRD O14764 1/20 0.41
GABRA1 P14867 1/20 0.41
GABRB1 P18505 1/20 0.41
GABRG2 P18507 1/20 0.41
GABRB3 P28472 1/20 0.41
GABRA5 P31644 1/20 0.41
GABRA3 P34903 1/20 0.41
GABRA2 P47869 1/20 0.41
GABRB2 P47870 1/20 0.41
GABRA4 P48169 1/20 0.41
GABRE P78334 1/20 0.41
GABRA6 Q16445 1/20 0.41
GABRG1 Q8N1C3 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
SCHEMBL8682205 0.85 MAPK1 (0.50) MAPTL3MBTL1GABRA5ALDH1A1
SCHEMBL30792011 0.85 MAPK1 (0.50) MAPTL3MBTL1GABRA5ALDH1A1
SCHEMBL20483548 0.84 HDAC6 (0.38) L3MBTL1
SCHEMBL8681688 0.83 NPC1 (0.38) ALDH1A1
SCHEMBL507626 0.82 HRH3 (0.34) HCAR3ALDH1A1HCAR2
SCHEMBL9521091 0.80 GABRA5 (0.36) L3MBTL1GABRA5ALDH1A1
SCHEMBL3722014 0.80 RXRA (0.51) ALDH1A1HPGDNR4A2
SCHEMBL30640120 0.79 PPARG (0.34) ALDH1A1CYP2C19NR4A2
SCHEMBL29185149 0.79 ESR1 (0.44)
SCHEMBL1680993 0.79 MAPT (0.53) MAPTHCAR3P4HA1P4HTML3MBTL1

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-3197879-B1 NEW BICYCLIC DERIVATIVES HAVING BETA2 ADRENERGIC AGONIST AND M3 MUSCARINIC ANTAGONIST ACTIVITIES ALMIRALL SA (ES) 2020-02-26 EP disclosed
US-10005771-B2 Bicyclic derivatives having β2 adrenergic agonist and M3 muscarinic antagonist activities ALMIRALL, S.A. (ES) 2018-06-26 US disclosed
US-20170275277-A1 NEW BICYCLIC DERIVATIVES HAVING BETA2 ADRENERGIC AGONIST AND M3 MUSCARINIC ANTAGONIST ACTIVITIES ALMIRALL, S.A. (ES) 2017-09-28 US disclosed
EP-3197879-A1 NEW BICYCLIC DERIVATIVES HAVING BETA2 ADRENERGIC AGONIST AND M3 MUSCARINIC ANTAGONIST ACTIVITIES Almirall S.A. (ES) 2017-08-02 EP disclosed
CN-106458995-A 2-(3-pyridinyl)-1H-benzimidazole derivative compound and medicine containing same 日本医事物理股份有限公司 2017-02-22 CN disclosed
WO-2016046390-A1 NEW BICYCLIC DERIVATIVES HAVING BETA2 ADRENERGIC AGONIST AND M3 MUSCARINIC ANTAGONIST ACTIVITIES ALMIRALL, S.A. (ES) 2016-03-31 WO disclosed
EP-0659747-B1 Branched aminothiazole derivatives process for their preparation and pharmaceutical compositions containing them SANOFI SA (FR) 1998-04-01 EP disclosed
EP-0659747-A1 Branched aminothiazole derivatives process for their preparation and pharmaceutical compositions containing them SANOFI (FR) 1995-06-28 EP 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-20170275277-A1 NEW BICYCLIC DERIVATIVES HAVING BETA2 ADRENERGIC AGONIST AND M3 MUSCARINIC ANTAGONIST ACTIVITIES ADRB2, CHRM2, CHRM3 MAPT 2776/4885HCAR3 210/4885P4HA1 4016/4885
US-10005771-B2 Bicyclic derivatives having β2 adrenergic agonist and M3 muscarinic antagonist activities ADRB2, CHRM3, CHRM2 MAPT 2841/4885HCAR3 194/4885P4HA1 3962/4885

“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.