SCHEMBL18975206

SCHEMBL18975206

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

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ NR4A2 P43354 1/20 0.56
▸ KCNH2 Q12809 1/20 0.37
▸ GPR84 Q9NQS5 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ SLC6A4 P31645 1/20 0.36

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
SCHEMBL18975247 0.87 NR4A2 (0.39) NR4A2
SCHEMBL18975507 0.87 NR4A2 (0.42) NR4A2GPR84MEN1KMT2A
SCHEMBL18975053 0.87 KCNH2 (0.41) NR4A2KCNH2KMT2A
SCHEMBL18975233 0.84 CTNNB1 (0.39) NR4A2
SCHEMBL18974973 0.83 NR4A2 (0.41) NR4A2KCNH2MEN1MAPTKMT2A
SCHEMBL18975204 0.79 JAK3 (0.37) —
SCHEMBL18975462 0.79 JAK3 (0.33) —
SCHEMBL18975032 0.79 KCNH2 (0.38) NR4A2KCNH2
SCHEMBL18975021 0.79 KCNH2 (0.34) NR4A2KCNH2
SCHEMBL18974985 0.79 MTNR1A (0.36) —

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 NR4A2 358/4885KCNH2 487/4885GPR84 125/4885

“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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