SCHEMBL29595488

SCHEMBL29595488

COc1ccc(OC2CCN(c3ncnc(N)c3C)CC2)cn1

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CHRM4 P08173 11/20 0.57
▸ DCK P27707 5/20 0.46
▸ OXTR P30559 2/20 0.45
▸ AVPR1A P37288 2/20 0.45
▸ PDE3B Q13370 1/20 0.40
▸ PDE3A Q14432 1/20 0.40
▸ PDE10A Q9Y233 1/20 0.40
▸ PIK3CA P42336 1/20 0.40
▸ MTOR P42345 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
SCHEMBL20303347 1.00 CHRM4 (0.57) CHRM4DCKOXTRAVPR1APDE3B
SCHEMBL20302675 0.89 CHRM4 (0.59) CHRM4DCKOXTRAVPR1APDE3B
SCHEMBL29595114 0.89 CHRM4 (0.59) CHRM4OXTRAVPR1APDE3BPDE3A
SCHEMBL29594931 0.89 CHRM4 (0.59) CHRM4DCKOXTRAVPR1APDE3B
SCHEMBL20302508 0.89 CHRM4 (0.59) CHRM4OXTRAVPR1APDE3BPDE3A
SCHEMBL29595618 0.87 CHRM4 (0.68) CHRM4DCKOXTRAVPR1APDE3B
SCHEMBL20302285 0.87 CHRM4 (0.68) CHRM4DCKOXTRAVPR1APDE3B
SCHEMBL20321271 0.86 CHRM4 (0.56) CHRM4OXTRAVPR1APDE10APIK3CA
SCHEMBL20302529 0.86 CHRM4 (0.62) CHRM4DCKOXTRAVPR1A
SCHEMBL29595877 0.86 CHRM4 (0.62) CHRM4DCKOXTRAVPR1A

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-11319298-B2 Heteroaryl piperidine ether allosteric modulators of the M4 muscarinic acetylcholine receptor MERCK SHARP & DOHME CORP. (US) 2022-05-03 — — 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-11319298-B2 Heteroaryl piperidine ether allosteric modulators of the M4 muscarinic acetylcholine receptor CHRM4, CHRM2, CHRM5 CHRM4 1/4885DCK 2633/4885OXTR 251/4885

“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