SCHEMBL5333543

SCHEMBL5333543

CC1CCN(CCn2ccc3ccccc32)CC1

nearest known ligand 0.61

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 4/20 0.61
CCND1 P24385 4/20 0.61
ABCB1 P08183 1/20 0.53
HTR6 P50406 4/20 0.52
DRD2 P14416 1/20 0.52
SLC6A4 P31645 1/20 0.52
ACHE P22303 1/20 0.50
HTR2A P28223 1/20 0.50
HTR2C P28335 1/20 0.50
P2RX7 Q99572 1/20 0.48

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
SCHEMBL5332158 0.91 CDK4 (0.63) CDK4CCND1ABCB1HTR6DRD2
SCHEMBL5338068 0.85 CDK4 (0.57) CDK4CCND1ABCB1HTR6DRD2
SCHEMBL5335490 0.84 CDK4 (0.56) CDK4CCND1ABCB1HTR6DRD2
SCHEMBL5338921 0.83 DRD2 (0.54) CDK4CCND1ABCB1HTR6DRD2
SCHEMBL29780338 0.82 CDK4 (0.71) CDK4CCND1ABCB1HTR6DRD2
SCHEMBL3990185 0.82 CDK4 (0.71) CDK4CCND1ABCB1HTR6DRD2
SCHEMBL5337986 0.82 CDK4 (0.53) CDK4CCND1ABCB1HTR6DRD2
SCHEMBL5342105 0.82 CDK4 (0.53) CDK4CCND1ABCB1HTR6DRD2
SCHEMBL5334874 0.81 DRD2 (0.52) CDK4CCND1ABCB1HTR6DRD2
SCHEMBL12543448 0.81 CDK4 (0.69) CDK4CCND1ABCB1HTR6DRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070155795-A1 MUSCARINIC AGONISTS ACADIA PHARMACEUTICALS INC. (US) 2007-07-05 US disclosed
US-7238713-B2 Muscarinic agonists ACADIA PHARMACEUTICALS, INC. (US) 2007-07-03 US disclosed
EP-1535912-A1 Muscarinic agonists Arcadia Pharmaceuticals Inc. (US) 2005-06-01 EP disclosed
US-20050113357-A1 Muscarinic agonists ANDERSON CARL-MAGNUS A (DK) 2005-05-26 US disclosed
US-6627645-B2 Cholinergic agents ACADIA PHARMACEUTICALS, INC. 2003-09-30 US disclosed
US-20020037886-A1 Muscarinic agonists ACADIA PHARMACEUTICALS INC. 2002-03-28 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 (3 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-20020037886-A1 Muscarinic agonists CHRM2, CHRM1, CHRM4 CDK4 2839/4885CCND1 3348/4885ABCB1 3447/4885
US-20070155795-A1 MUSCARINIC AGONISTS CHRM2, CHRM1, CHRM4 CDK4 2839/4885CCND1 3348/4885ABCB1 3447/4885
US-20050113357-A1 Muscarinic agonists CHRM2, CHRM1, CHRM4 CDK4 2839/4885CCND1 3348/4885ABCB1 3447/4885

“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.