SCHEMBL23046563

SCHEMBL23046563

CC(C)NC1CN(c2cnc(C3CC3)cn2)C1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ GRM4 Q14833 1/20 0.44
▸ NR1H2 P55055 1/20 0.38
▸ NR1H3 Q13133 1/20 0.38
▸ HRH4 Q9H3N8 11/20 0.35
▸ SLC6A9 P48067 2/20 0.34
▸ IRAK4 Q9NWZ3 1/20 0.34
▸ ROCK2 O75116 1/20 0.33
▸ ROCK1 Q13464 1/20 0.33
▸ CDC42BPB Q9Y5S2 1/20 0.33
▸ JAK2 O60674 1/20 0.32
▸ JAK1 P23458 1/20 0.32
▸ JAK3 P52333 1/20 0.32

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
SCHEMBL20283151 0.83 GRM4 (0.47) GRM4HRH4SLC6A9
SCHEMBL26748822 0.73 PANK3 (0.44) IRAK4
SCHEMBL25105773 0.70 HRH4 (0.48) GRM4HRH4
SCHEMBL24467748 0.70 HRH4 (0.47) NR1H2NR1H3HRH4SLC6A9
SCHEMBL20805438 0.70 HRH3 (0.41) —
SCHEMBL23768153 0.69 HCAR3 (0.38) NR1H2NR1H3HRH4JAK2JAK1
SCHEMBL23015397 0.69 PANK3 (0.48) GRM4JAK2JAK1JAK3
SCHEMBL26748819 0.68 ACACB (0.54) —
SCHEMBL29631771 0.67 HRH4 (0.47) HRH4SLC6A9
SCHEMBL24467773 0.67 HRH4 (0.47) HRH4SLC6A9

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-10934276-B2 Positive allosteric modulators of the muscarinic acetylcholine receptor M4 VANDERBILT UNIVERSITY (US) 2021-03-02 — — 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-10934276-B2 Positive allosteric modulators of the muscarinic acetylcholine receptor M4 CHRM4, CHRM2, CHRM3 GRM4 27/4885NR1H2 928/4885NR1H3 1075/4885

“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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