SCHEMBL18975233

SCHEMBL18975233

C=CNCCCCOC(=O)c1c[nH]c2cccc(C(F)(F)F)c12

nearest known ligand 0.55

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ CTNNB1 P35222 1/20 0.39
▸ WNT3A P56704 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ NR4A2 P43354 1/20 0.37
▸ JAK3 P52333 1/20 0.34

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
SCHEMBL18975507 0.84 NR4A2 (0.42) CTNNB1WNT3ANR4A2JAK3
SCHEMBL18975247 0.84 NR4A2 (0.39) NR4A2
SCHEMBL18975206 0.84 NR4A2 (0.56) NR4A2
SCHEMBL18975235 0.79 JAK2 (0.37) JAK3
SCHEMBL18975462 0.78 JAK3 (0.33) JAK3
SCHEMBL18975204 0.78 JAK3 (0.37) JAK3
SCHEMBL18975215 0.78 JAK3 (0.34) JAK3
SCHEMBL18974985 0.76 MTNR1A (0.36) —
SCHEMBL18975053 0.76 KCNH2 (0.41) NR4A2JAK3
SCHEMBL18975231 0.76 JAK3 (0.38) JAK3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170166561-A1 QUINUCLIDINE COMPOUNDS FOR MODULATING ALPHA7-NICOTINIC ACETYLCHOLINE RECEPTOR ACTIVITY ALPHARMAGEN LLC (US) 2017-06-15 — — 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 (1 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-20170166561-A1 QUINUCLIDINE COMPOUNDS FOR MODULATING ALPHA7-NICOTINIC ACETYLCHOLINE RECEPTOR ACTIVITY CHRNA7, CHRNA2, CHRNA6 CTNNB1 3703/4885WNT3A 2246/4885KDM4E 3528/4885

“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.

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