SCHEMBL18489256

SCHEMBL18489256

CC(C)Oc1c(Cl)ccc(C=O)c1F

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A3 P47895 1/20 0.37
TDP1 Q9NUW8 1/20 0.35
ERN1 O75460 1/20 0.31
TYR P14679 1/20 0.31
CYP1A2 P05177 1/20 0.30
MAPT P10636 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30
MEP1B Q16820 1/20 0.30

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
SCHEMBL21413070 0.81 ALDH1A3 (0.38) ALDH1A3ERN1TYRCYP1A2MAPT
SCHEMBL1397054 0.81 MEP1B (0.43) TDP1ERN1TYRCYP1A2CYP2C9
SCHEMBL38651684 0.80 ALDH1A3 (0.37) ALDH1A3ERN1TYRCYP1A2MAPT
SCHEMBL18502977 0.80 L3MBTL1 (0.36) MAPT
SCHEMBL18508480 0.80 L3MBTL1 (0.36) MAPT
SCHEMBL18489109 0.77 ALDH1A1 (0.38) TDP1ERN1CYP1A2CYP2C9CYP2C19
SCHEMBL1253375 0.76 CA1 (0.43) ALDH1A3TDP1ERN1CYP1A2MAPT
SCHEMBL14920787 0.75 ALDH1A1 (0.36) TDP1ERN1MAPTMEP1B
SCHEMBL29952801 0.75
SCHEMBL15912973 0.75

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10428062-B2 Geminal substituted aminobenzisoxazole compounds as agonists of α7-nicotinic acetylcholine receptors AXOVANT SCIENCES GMBH (CH) 2019-10-01 US disclosed
US-10428062-B2 Geminal substituted aminobenzisoxazole compounds as agonists of α7-nicotinic acetylcholine receptors AXOVANT SCIENCES GMBH (CH) 2019-10-01 US disclosed
EP-3334740-A1 GEMINAL SUBSTITUTED AMINOBENZISOXAZOLE COMPOUNDS AS AGONISTS OF 7-NICOTINIC ACETYLCHOLINE RECEPTORS Axovant Sciences GmbH (DE) 2018-06-20 EP disclosed
WO-2017027600-A1 GEMINAL SUBSTITUTED AMINOBENZISOXAZOLE COMPOUNDS AS AGONISTS OF α7-NICOTINIC ACETYLCHOLINE RECEPTORS FORUM PHARMACEUTICALS, INC. (US) 2017-02-16 WO disclosed
US-20170044155-A1 Geminal Substituted Aminobenzisoxazole Compounds as Agonists of Alpha7-Nicotinic Acetylcholine Receptors AXOVANT SCIENCES GMBH (CH) 2017-02-16 US disclosed
US-20170044155-A1 Geminal Substituted Aminobenzisoxazole Compounds as Agonists of Alpha7-Nicotinic Acetylcholine Receptors AXOVANT SCIENCES GMBH (CH) 2017-02-16 US disclosed
US-20170044155-A1 Geminal Substituted Aminobenzisoxazole Compounds as Agonists of Alpha7-Nicotinic Acetylcholine Receptors AXOVANT SCIENCES GMBH (CH) 2017-02-16 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-20170044155-A1 Geminal Substituted Aminobenzisoxazole Compounds as Agonists of Alpha7-Nicotinic Acetylcholine Receptors CHRNA7, CHRNA5, CHRNA6 ALDH1A3 3562/4885TDP1 2381/4885ERN1 4726/4885
US-10428062-B2 Geminal substituted aminobenzisoxazole compounds as agonists of α7-nicotinic acetylcholine receptors CHRNA7, CHRNA5, CHRNA2 ALDH1A3 3608/4885TDP1 2421/4885ERN1 4715/4885

“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.