SCHEMBL5332494

SCHEMBL5332494

CCCCC1CCN(CCCn2c(C)cc3ccccc32)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 6/20 0.50
DRD2 P14416 6/20 0.50
CHRM5 P08912 5/20 0.50
CHRM3 P20309 5/20 0.50
CHRM2 P08172 4/20 0.50
CHRM4 P08173 4/20 0.50
DRD4 P21917 4/20 0.50
ADRA1D P25100 2/20 0.50
ADRA1A P35348 2/20 0.50
ADRA1B P35368 2/20 0.50
HRH3 Q9Y5N1 2/20 0.50
HTR1A P08908 1/20 0.50
ADRA2A P08913 1/20 0.50
ADRA2B P18089 1/20 0.50
HRH1 P35367 1/20 0.50
DRD3 P35462 3/20 0.48
ADRB2 P07550 1/20 0.48
ADRB1 P08588 1/20 0.48
TSHR P16473 3/20 0.45
KCNH2 Q12809 1/20 0.44

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
SCHEMBL4090351 0.82 CHRM1 (0.53) CHRM1DRD2CHRM5CHRM3CHRM2
SCHEMBL5338969 0.81 CDK4 (0.55) CHRM1DRD2CHRM5CHRM3CHRM2
SCHEMBL30628011 0.79 MEN1 (0.64) TSHRKDM4ETP53MEN1KMT2A
SCHEMBL4220374 0.79 MEN1 (0.64) TSHRKDM4ETP53MEN1KMT2A
SCHEMBL14411753 0.79 CHRM1 (0.50) CHRM1DRD2CHRM5CHRM3CHRM2
SCHEMBL9775976 0.78 FPR3 (0.58) HRH3TSHRKDM4ETP53FPR3
SCHEMBL6326696 0.77 MEN1 (0.58) TSHRKDM4ETP53MEN1KMT2A
SCHEMBL30151601 0.77 MEN1 (0.58) TSHRKDM4ETP53MEN1KMT2A
SCHEMBL5336821 0.77 MCHR1 (0.56) HRH3KCNH2KDM4ETP53
SCHEMBL4106718 0.77 CHRM1 (0.45) CHRM1DRD2CHRM5CHRM3CHRM2

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 14 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-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
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 (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 CHRM1 1153/4885DRD2 2688/4885CHRM5 1148/4885
US-20020037886-A1 Muscarinic agonists CHRM2, CHRM1, CHRM4 CHRM1 2/4885DRD2 476/4885CHRM5 5/4885
US-20070155795-A1 MUSCARINIC AGONISTS CHRM2, CHRM1, CHRM4 CHRM1 2/4885DRD2 476/4885CHRM5 5/4885
US-20050113357-A1 Muscarinic agonists CHRM2, CHRM1, CHRM4 CHRM1 2/4885DRD2 476/4885CHRM5 5/4885

“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.