SCHEMBL5338969

SCHEMBL5338969

CCCCC1CCN(CCCn2ccc3ccccc32)CC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 3/20 0.55
CCND1 P24385 3/20 0.55
ABCB1 P08183 1/20 0.55
HRH3 Q9Y5N1 1/20 0.52
SIGMAR1 Q99720 1/20 0.52
DRD2 P14416 4/20 0.51
SLC6A4 P31645 1/20 0.51
DRD4 P21917 3/20 0.51
DRD3 P35462 2/20 0.51
CHRM1 P11229 3/20 0.50
CHRM2 P08172 2/20 0.50
CHRM4 P08173 2/20 0.50
CHRM5 P08912 2/20 0.50
CHRM3 P20309 2/20 0.50
ADRA1D P25100 2/20 0.50
ADRA1A P35348 2/20 0.50
ADRA1B P35368 2/20 0.50
P2RX7 Q99572 1/20 0.50
ADRB2 P07550 1/20 0.50
ADRB1 P08588 1/20 0.50

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
SCHEMBL5332190 0.94 CDK4 (0.56) CDK4CCND1ABCB1HRH3SIGMAR1
SCHEMBL5334874 0.94 DRD2 (0.52) CDK4CCND1ABCB1HRH3DRD2
SCHEMBL5345692 0.88 CDK4 (0.59) CDK4CCND1ABCB1SIGMAR1DRD2
SCHEMBL5338921 0.86 DRD2 (0.54) CDK4CCND1ABCB1HRH3DRD2
SCHEMBL14411749 0.84 HTR7 (0.54) HRH3HTR4
SCHEMBL5331726 0.83 HTR7 (0.52) HRH3DRD2DRD4DRD3CHRM1
SCHEMBL5334617 0.83 ABCB1 (0.51) CDK4CCND1ABCB1HRH3SIGMAR1
SCHEMBL5336162 0.83 ABCB1 (0.53) CDK4CCND1ABCB1SIGMAR1DRD2
SCHEMBL5332158 0.83 CDK4 (0.63) CDK4CCND1ABCB1SIGMAR1DRD2
SCHEMBL5335641 0.82 CDK4 (0.55) CDK4CCND1ABCB1SIGMAR1DRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050113357-A1 Muscarinic agonists ANDERSON CARL-MAGNUS A (DK) 2005-05-26 US claimed
US-20020037886-A1 Muscarinic agonists ACADIA PHARMACEUTICALS INC. 2002-03-28 US claimed
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
EP-1278741-B1 MUSCARINIC AGONISTS ACADIA PHARM INC (US) 2005-03-02 EP disclosed
US-6627645-B2 Cholinergic agents ACADIA PHARMACEUTICALS, INC. 2003-09-30 US disclosed
EP-1278741-A1 MUSCARINIC AGONISTS Acadia Pharmaceuticals Inc. (US) 2003-01-29 EP disclosed
US-20020037886-A1 Muscarinic agonists ACADIA PHARMACEUTICALS INC. 2002-03-28 US disclosed
WO-2001083472-A1 MUSCARINIC AGONISTS ACADIA PHARMACEUTICALS, INC. (US) 2001-11-08 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 (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.