SCHEMBL29419896

SCHEMBL29419896

Cn1ncc2cc(OC3CCNCC3)ccc21

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IKBKB O14920 2/20 0.54
▸ ROCK1 Q13464 5/20 0.48
▸ PRKCZ Q05513 3/20 0.47
▸ HRH3 Q9Y5N1 2/20 0.46
▸ ROCK2 O75116 1/20 0.46
▸ PRKACA P17612 1/20 0.46
▸ PRKCD Q05655 1/20 0.46
▸ PRKG1 Q13976 1/20 0.46
▸ PKN1 Q16512 1/20 0.46
▸ PKN2 Q16513 1/20 0.46
▸ AAK1 Q2M2I8 1/20 0.46
▸ CDC42BPA Q5VT25 1/20 0.46
▸ Q6ZSR9 Q6ZSR9 1/20 0.46
▸ BMP2K Q9NSY1 1/20 0.46
▸ CDC42BPB Q9Y5S2 1/20 0.46
▸ CHRM4 P08173 1/20 0.45
▸ KHK P50053 2/20 0.43
▸ HRH1 P35367 1/20 0.43
▸ LRRK2 Q5S007 1/20 0.42
▸ PARP1 P09874 1/20 0.40

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
SCHEMBL19023085 1.00 IKBKB (0.54) IKBKBROCK1PRKCZHRH3ROCK2
Hydrochloric Acid SCHEMBL31330197 0.85 SLC6A2 (0.44) IKBKBROCK1PRKCZHRH3CHRM4
SCHEMBL17339941 0.85 HRH3 (0.47) HRH3CHRM4LRRK2DYRK1A
SCHEMBL19050130 0.83 SLC6A4 (0.50) CHRM4
SCHEMBL19023216 0.80 CHRM4 (0.52) PRKCZCHRM4DYRK1A
SCHEMBL19022976 0.80 CHRM4 (0.52) PRKCZCHRM4DYRK1A
SCHEMBL19049933 0.80 CHRM4 (0.52) PRKCZCHRM4DYRK1A
SCHEMBL19023271 0.80 CHRM4 (0.52) PRKCZCHRM4DYRK1A
SCHEMBL21461276 0.80 CHRM4 (0.52) PRKCZCHRM4DYRK1A
SCHEMBL19023237 0.80 CHRM4 (0.52) PRKCZCHRM4DYRK1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11319298-B2 Heteroaryl piperidine ether allosteric modulators of the M4 muscarinic acetylcholine receptor MERCK SHARP & DOHME CORP. (US) 2022-05-03 — — US disclosed
US-11230556-B2 6,5-fused heteroaryl piperidine ether allosteric modulators of the M4 muscarinic acetylcholine receptor MERCK SHARP & DOHME CORP. (US) 2022-01-25 — — 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-11319298-B2 Heteroaryl piperidine ether allosteric modulators of the M4 muscarinic acetylcholine receptor CHRM4, CHRM2, CHRM5 IKBKB 4578/4885ROCK1 2275/4885PRKCZ 745/4885
US-11230556-B2 6,5-fused heteroaryl piperidine ether allosteric modulators of the M4 muscarinic acetylcholine receptor CHRM5, CHRM4, CHRM2 IKBKB 4602/4885ROCK1 2217/4885PRKCZ 1248/4885

“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.

Send feedback