SCHEMBL3965080

SCHEMBL3965080

COC(=O)c1ccc2cc(C)sc2c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.66
PIK3CA P42336 1/20 0.50
PIK3CB P42338 1/20 0.50
PIK3CG P48736 1/20 0.50
PI4KB Q9UBF8 1/20 0.50
CA12 O43570 2/20 0.47
CA1 P00915 2/20 0.47
CA2 P00918 2/20 0.47
CA7 P43166 2/20 0.47
CA9 Q16790 2/20 0.47
CA14 Q9ULX7 2/20 0.47
XDH P47989 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
NPC1 O15118 6/20 0.47
RAB9A P51151 6/20 0.47
SMN1; SMN2 Q16637 4/20 0.47
MAPT P10636 4/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
KDM4E B2RXH2 3/20 0.47

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
SCHEMBL6299396 0.87 HDAC1 (0.50) HDAC1PIK3CAPIK3CBPIK3CGPI4KB
SCHEMBL1886145 0.83 HDAC1 (0.80) HDAC1PIK3CAPIK3CBPIK3CGPI4KB
SCHEMBL13299926 0.83 HDAC1 (0.66) HDAC1PIK3CAPIK3CBPIK3CGPI4KB
SCHEMBL25218250 0.82 HDAC1 (0.68) HDAC1PIK3CAPIK3CBPIK3CGPI4KB
SCHEMBL1886911 0.82 HDAC1 (0.78) HDAC1PIK3CAPIK3CBPIK3CGPI4KB
SCHEMBL25224406 0.82 HDAC1 (0.64) HDAC1PIK3CAPIK3CBPIK3CGPI4KB
SCHEMBL31109036 0.82 HDAC1 (0.68) HDAC1PIK3CAPIK3CBPIK3CGPI4KB
SCHEMBL3966584 0.81 RAB9A (0.53) HDAC1CA12CA1CA2CA7
SCHEMBL9612674 0.81 HDAC1 (0.76) HDAC1PIK3CAPIK3CBPIK3CGPI4KB
SCHEMBL25260378 0.80 HDAC1 (0.61) HDAC1PIK3CAPIK3CBPIK3CGPI4KB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3623371-A1 GEMINAL SUBSTITUTED QUINUCLIDINE AMIDE COMPOUNDS AS AGONISTS OF ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTORS Axovant Sciences GmbH (CH) 2020-03-18 EP disclosed
EP-3233087-B1 GEMINAL SUBSTITUTED QUINUCLIDINE AMIDE COMPOUNDS AS AGONISTS OF ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTORS AXOVANT SCIENCES GMBH (DE) 2019-10-02 EP disclosed
EP-3233087-B1 GEMINAL SUBSTITUTED QUINUCLIDINE AMIDE COMPOUNDS AS AGONISTS OF ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTORS AXOVANT SCIENCES GMBH (DE) 2019-10-02 EP disclosed
US-10183938-B2 Geminal substituted quinuclidine amide compounds as agonists of α-7 nicotonic acetylcholine receptors AXOVANT SCIENCES GMBH (CH) 2019-01-22 US disclosed
US-10183938-B2 Geminal substituted quinuclidine amide compounds as agonists of α-7 nicotonic acetylcholine receptors AXOVANT SCIENCES GMBH (CH) 2019-01-22 US disclosed
US-20170369486-A1 GEMINAL SUBSTITUTED QUINUCLIDINE AMIDE COMPOUNDS AS AGONISTS OF ALPHA-7 NICOTONIC ACETYLCHOLINE RECEPTORS AXOVANT SCIENCES GMBH (CH) 2017-12-28 US disclosed
EP-3233087-A1 GEMINAL SUBSTITUTED QUINUCLIDINE AMIDE COMPOUNDS AS AGONISTS OF ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTORS Axovant Sciences GmbH (DE) 2017-10-25 EP disclosed
WO-2016100184-A1 GEMINAL SUBSTITUTED QUINUCLIDINE AMIDE COMPOUNDS AS AGONISTS OF ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTORS FORUM PHARMACEUTICALS, INC. (US) 2016-06-23 WO disclosed
WO-2016100184-A1 GEMINAL SUBSTITUTED QUINUCLIDINE AMIDE COMPOUNDS AS AGONISTS OF ALPHA-7 NICOTINIC ACETYLCHOLINE RECEPTORS FORUM PHARMACEUTICALS, INC. (US) 2016-06-23 WO disclosed
US-7557103-B2 Imidazopyridazine compounds ELI LILLY AND COMPANY (US) 2009-07-07 US disclosed
US-20080153828-A1 Imidazopyridazine Compounds ELI LILLY AND COMPANY 2008-06-26 US disclosed
EP-1879896-A1 IMIDAZOPYRIDAZINE COMPOUNDS ELI LILLY AND COMPANY (US) 2008-01-23 EP disclosed
WO-2006107784-A1 IMIDAZOPYRIDAZINE COMPOUNDS ELI LILLY AND COMPANY (US) 2006-10-12 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 (3 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-20080153828-A1 Imidazopyridazine Compounds CRHR1, CRH, CRHR2 HDAC1 497/4885PIK3CA 3253/4885PIK3CB 2642/4885
US-10183938-B2 Geminal substituted quinuclidine amide compounds as agonists of α-7 nicotonic acetylcholine receptors CHRNA7, CHRNA6, CHRNA5 HDAC1 1669/4885PIK3CA 836/4885PIK3CB 1042/4885
US-20170369486-A1 GEMINAL SUBSTITUTED QUINUCLIDINE AMIDE COMPOUNDS AS AGONISTS OF ALPHA-7 NICOTONIC ACETYLCHOLINE RECEPTORS CHRNA7, CHRNA6, CHRNA5 HDAC1 1741/4885PIK3CA 882/4885PIK3CB 1090/4885

“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.