SCHEMBL8012152

SCHEMBL8012152

CCN1C[C@H]2C[C@@H]1CN2c1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 3/20 0.40
MAP3K12 Q12852 1/20 0.39
DRD2 P14416 2/20 0.38
DRD4 P21917 2/20 0.38
CHRNA7 P36544 4/20 0.37
KCNH2 Q12809 2/20 0.37
BRAF P15056 1/20 0.37
MAPK1 P28482 2/20 0.36

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
SCHEMBL19381939 0.87 DRD3 (0.44) DRD3DRD2DRD4CHRNA7KCNH2
SCHEMBL13263648 0.84 DRD3 (0.47) DRD3DRD2DRD4
SCHEMBL19368172 0.81 DRD3 (0.42) DRD3DRD2DRD4CHRNA7KCNH2
SCHEMBL13233305 0.80 DRD3 (0.41) DRD3DRD2DRD4CHRNA7KCNH2
SCHEMBL19852248 0.79 DRD3 (0.46) DRD3DRD2DRD4
SCHEMBL21072109 0.79 DRD3 (0.46) DRD3DRD2DRD4
SCHEMBL5858597 0.78 DRD3 (0.50) DRD3DRD2DRD4CHRNA7KCNH2
SCHEMBL20328234 0.77 SIGMAR1 (0.51)
SCHEMBL19381894 0.77 CHRNA7 (0.58) CHRNA7KCNH2MAPK1
SCHEMBL26235665 0.77 CHRNA7 (0.58) CHRNA7KCNH2MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8288409-B2 Quinolizidinone M1 receptor positive allosteric modulators MERCK SHARP & DOHME CORP. (US) 2012-10-16 US disclosed
US-8288409-B2 Quinolizidinone M1 receptor positive allosteric modulators MERCK SHARP & DOHME CORP. (US) 2012-10-16 US disclosed
US-20100324024-A1 Quinolizidinone M1 Receptor Positive Allosteric Modulators MERCK SHARP & DOHME CORP. (US) 2010-12-23 US disclosed
US-20100324024-A1 Quinolizidinone M1 Receptor Positive Allosteric Modulators MERCK SHARP & DOHME CORP. (US) 2010-12-23 US disclosed
WO-2009102574-A1 QUINOLIZIDINONE M1 RECEPTOR POSITIVE ALLOSTERIC MODULATORS MERCK & CO., INC. (US) 2009-08-20 WO 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-20100324024-A1 Quinolizidinone M1 Receptor Positive Allosteric Modulators CHRM1, CHRM2, OPRL1 DRD3 394/4885MAP3K12 3323/4885DRD2 263/4885

“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.