SCHEMBL19739924

SCHEMBL19739924

O=C(O)c1cc2ccc3c(c2s1)CCCO3

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 3/20 0.55
ALDH1A1 P00352 3/20 0.39
DAO P14920 1/20 0.39
CTNNB1 P35222 3/20 0.39
WNT3A P56704 3/20 0.39
MTNR1A P48039 2/20 0.38
MTNR1B P49286 2/20 0.38
HTR3A P46098 1/20 0.37
GPR35 Q9HC97 1/20 0.37
BCL2L1 Q07817 1/20 0.36
KDM4E B2RXH2 2/20 0.35
MEN1 O00255 1/20 0.35
GLA P06280 1/20 0.35
PKM P14618 1/20 0.35
KMT2A Q03164 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
NOTUM Q6P988 3/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
HPGD P15428 2/20 0.35

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
SCHEMBL19740288 0.87 CHRNA7 (0.57) CHRNA7ALDH1A1MTNR1AMTNR1BHTR3A
SCHEMBL17842847 0.79 CHRNA7 (0.54) CHRNA7ALDH1A1DAOCTNNB1WNT3A
SCHEMBL17858395 0.77 ALDH1A1 (0.50) ALDH1A1DAOGPR35BCL2L1KDM4E
SCHEMBL19756702 0.77 CHRNA7 (0.46) CHRNA7ALDH1A1CTNNB1WNT3AMTNR1A
SCHEMBL19756742 0.74 CHRNA7 (0.42) CHRNA7MTNR1AMTNR1B
SCHEMBL21468887 0.73 CHRNA7 (0.43) CHRNA7ALDH1A1MTNR1AMTNR1BNPC1
SCHEMBL19739881 0.73 CHRNA7 (1.00) CHRNA7HTR3A
SCHEMBL17842790 0.73 CHRNA7 (1.00) CHRNA7HTR3A
SCHEMBL17843118 0.73 CHRNA7 (0.66) CHRNA7HTR3A
SCHEMBL19740379 0.73 CHRNA7 (1.00) CHRNA7HTR3A

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-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

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-10183938-B2 Geminal substituted quinuclidine amide compounds as agonists of α-7 nicotonic acetylcholine receptors CHRNA7, CHRNA6, CHRNA5 CHRNA7 1/4885ALDH1A1 2693/4885DAO 2326/4885
US-20170369486-A1 GEMINAL SUBSTITUTED QUINUCLIDINE AMIDE COMPOUNDS AS AGONISTS OF ALPHA-7 NICOTONIC ACETYLCHOLINE RECEPTORS CHRNA7, CHRNA6, CHRNA5 CHRNA7 1/4885ALDH1A1 2708/4885DAO 2427/4885

“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.