SCHEMBL5336162

SCHEMBL5336162

CCOCC1CCN(CCCn2ccc3ccccc32)CC1

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 2/20 0.53
CDK4 P11802 3/20 0.52
CCND1 P24385 3/20 0.52
SIGMAR1 Q99720 1/20 0.50
DRD2 P14416 2/20 0.49
DRD4 P21917 1/20 0.49
DRD3 P35462 1/20 0.49
P2RX7 Q99572 1/20 0.48
HTR4 Q13639 1/20 0.48
SLC6A4 P31645 1/20 0.46

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
SCHEMBL5339628 0.93 CDK4 (0.50) ABCB1CDK4CCND1DRD2P2RX7
SCHEMBL5334617 0.91 ABCB1 (0.51) ABCB1CDK4CCND1SIGMAR1DRD2
SCHEMBL5335641 0.88 CDK4 (0.55) ABCB1CDK4CCND1SIGMAR1DRD2
SCHEMBL5345692 0.86 CDK4 (0.59) ABCB1CDK4CCND1SIGMAR1DRD2
SCHEMBL5332190 0.84 CDK4 (0.56) ABCB1CDK4CCND1SIGMAR1DRD2
SCHEMBL5332168 0.83 DRD2 (0.49) ABCB1CDK4CCND1DRD2SLC6A4
SCHEMBL5345261 0.83 CDK4 (0.55) ABCB1CDK4CCND1SIGMAR1DRD2
SCHEMBL5338969 0.83 CDK4 (0.55) ABCB1CDK4CCND1SIGMAR1DRD2
SCHEMBL5332158 0.81 CDK4 (0.63) ABCB1CDK4CCND1SIGMAR1DRD2
SCHEMBL5333509 0.80 CDK4 (0.58) ABCB1CDK4CCND1SIGMAR1DRD2

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 ABCB1 3447/4885CDK4 2839/4885CCND1 3348/4885
US-20070155795-A1 MUSCARINIC AGONISTS CHRM2, CHRM1, CHRM4 ABCB1 3447/4885CDK4 2839/4885CCND1 3348/4885
US-20050113357-A1 Muscarinic agonists CHRM2, CHRM1, CHRM4 ABCB1 3447/4885CDK4 2839/4885CCND1 3348/4885

“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.