SCHEMBL18756172

SCHEMBL18756172

Cc1cnc(C(=O)C/C=C/[C@H]2CCC[C@@H]2O)cc1Cc1ccc(-c2ccn(C)n2)cc1

nearest known ligand 0.47

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ CHRM1 P11229 17/20 0.47
▸ PDE2A O00408 1/20 0.41
▸ PDE11A Q9HCR9 1/20 0.41

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
SCHEMBL18756471 0.90 CHRM1 (0.39) CHRM1PDE2APDE11A
SCHEMBL18756633 0.90 CHRM1 (0.49) CHRM1PDE2APDE11A
SCHEMBL18756526 0.89 CHRM1 (0.39) CHRM1PDE2APDE11A
SCHEMBL18756524 0.89 CHRM1 (0.46) CHRM1
SCHEMBL21235227 0.89 CHRM1 (0.46) CHRM1
SCHEMBL21235440 0.86 CHRM1 (0.48) CHRM1
SCHEMBL21235424 0.85 CHRM1 (0.49) CHRM1
SCHEMBL18756167 0.85 CHRM1 (0.49) CHRM1
SCHEMBL18756112 0.83 CHRM1 (0.48) CHRM1
SCHEMBL18756662 0.81 CHRM1 (0.50) CHRM1PDE2APDE11A

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
EP-3156397-B1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICALS CO (JP) 2019-08-07 — — EP disclosed
EP-3156397-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2017-04-19 — — EP disclosed
US-20160159785-A1 SUBSTITUTED-QUINOXALINE-TYPE PIPERIDINE COMPOUNDS AND THE USES THEREOF PURDUE PHARMA L.P. 2016-06-09 — — 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-20160159785-A1 SUBSTITUTED-QUINOXALINE-TYPE PIPERIDINE COMPOUNDS AND THE USES THEREOF P2RX4, P2RX5, P2RX3 CHRM1 483/4885PDE2A 1011/4885PDE11A 2296/4885

“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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