SCHEMBL21878486

SCHEMBL21878486

O=C(NCC1CCOCC1)c1cc(Cc2ccc(-n3cccn3)cc2)cc2cccnc12

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 14/20 0.55
CNR1 P21554 2/20 0.43
CNR2 P34972 2/20 0.43
EGLN1 Q9GZT9 1/20 0.42
KAT7 O95251 1/20 0.41
KAT5 Q92993 1/20 0.41
NAPEPLD Q6IQ20 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
SCHEMBL21878465 0.88 CHRM1 (0.57) CHRM1
SCHEMBL21878448 0.83 CHRM1 (0.74) CHRM1
SCHEMBL21929402 0.81 CHRM1 (0.58) CHRM1CNR1CNR2
SCHEMBL21878490 0.80 CHRM1 (0.64) CHRM1
SCHEMBL21878478 0.80 CHRM1 (0.71) CHRM1
SCHEMBL21878458 0.79 CHRM1 (0.51) CHRM1
SCHEMBL21878500 0.79 CHRM1 (0.72) CHRM1
SCHEMBL21929477 0.79 CHRM1 (0.47) CHRM1
SCHEMBL21878499 0.78 CHRM1 (0.49) CHRM1
Lithium Ion SCHEMBL21878483 0.77 CHRM1 (0.46) CHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200131159-A1 POSITIVE ALLOSTERIC MODULATORS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M1 NIH-DEITR 2020-04-30 US claimed
US-20200131159-A1 POSITIVE ALLOSTERIC MODULATORS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M1 NIH-DEITR 2020-04-30 US disclosed
US-20200131159-A1 POSITIVE ALLOSTERIC MODULATORS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M1 NIH-DEITR 2020-04-30 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-20200131159-A1 POSITIVE ALLOSTERIC MODULATORS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M1 CHRM1, CHRM2, CHRM4 CHRM1 1/4885CNR1 46/4885CNR2 114/4885

“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.