SCHEMBL5334874

SCHEMBL5334874

CCCCC1CCN(CCn2ccc3ccccc32)CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 3/20 0.52
SLC6A4 P31645 1/20 0.52
CDK4 P11802 4/20 0.51
CCND1 P24385 4/20 0.51
HRH3 Q9Y5N1 1/20 0.50
ABCB1 P08183 1/20 0.50
CHRM1 P11229 3/20 0.47
CHRM2 P08172 2/20 0.47
CHRM4 P08173 2/20 0.47
CHRM5 P08912 2/20 0.47
CHRM3 P20309 2/20 0.47
DRD4 P21917 2/20 0.47
ADRA1D P25100 2/20 0.47
ADRA1A P35348 2/20 0.47
ADRA1B P35368 2/20 0.47
HTR1A P08908 1/20 0.47
ADRA2A P08913 1/20 0.47
ADRA2B P18089 1/20 0.47
HRH1 P35367 1/20 0.47
HTR6 P50406 4/20 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
SCHEMBL5338969 0.94 CDK4 (0.55) DRD2SLC6A4CDK4CCND1HRH3
SCHEMBL5338921 0.92 DRD2 (0.54) DRD2SLC6A4CDK4CCND1HRH3
SCHEMBL5332190 0.87 CDK4 (0.56) DRD2SLC6A4CDK4CCND1HRH3
SCHEMBL5338068 0.87 CDK4 (0.57) DRD2SLC6A4CDK4CCND1ABCB1
SCHEMBL5345692 0.82 CDK4 (0.59) DRD2SLC6A4CDK4CCND1ABCB1
SCHEMBL5332168 0.81 DRD2 (0.49) DRD2SLC6A4CDK4CCND1ABCB1
SCHEMBL5335388 0.81 DRD2 (0.49) DRD2SLC6A4CDK4CCND1ABCB1
SCHEMBL5339628 0.81 CDK4 (0.50) DRD2SLC6A4CDK4CCND1ABCB1
SCHEMBL5333543 0.81 CDK4 (0.61) DRD2SLC6A4CDK4CCND1ABCB1
SCHEMBL5342105 0.81 CDK4 (0.53) DRD2SLC6A4CDK4CCND1ABCB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070213359-A1 BICYCLIC-NITROGEN COMPOUNDS AS MODULATORS OF GHRELIN RECEPTOR AND USES THEREOF ACADIA PHARMACEUTICALS INC. (US) 2007-09-13 US disclosed
US-20070213359-A1 BICYCLIC-NITROGEN COMPOUNDS AS MODULATORS OF GHRELIN RECEPTOR AND USES THEREOF ACADIA PHARMACEUTICALS INC. (US) 2007-09-13 US disclosed
WO-2007079239-A2 BICYCLIC NITROGEN COMPOUNDS AS MODULATORS OF GHRELIN RECEPTOR AND USES THEREOF ACADIA PHARMACEUTICALS INC. (US) 2007-07-12 WO disclosed
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 (4 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-20070213359-A1 BICYCLIC-NITROGEN COMPOUNDS AS MODULATORS OF GHRELIN RECEPTOR AND USES THEREOF GIPR, GHSR, GHRHR DRD2 2688/4885SLC6A4 1446/4885CDK4 2097/4885
US-20020037886-A1 Muscarinic agonists CHRM2, CHRM1, CHRM4 DRD2 476/4885SLC6A4 972/4885CDK4 2839/4885
US-20070155795-A1 MUSCARINIC AGONISTS CHRM2, CHRM1, CHRM4 DRD2 476/4885SLC6A4 972/4885CDK4 2839/4885
US-20050113357-A1 Muscarinic agonists CHRM2, CHRM1, CHRM4 DRD2 476/4885SLC6A4 972/4885CDK4 2839/4885

“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.