SCHEMBL4506489

SCHEMBL4506489

CCCC=C1CCN(Cc2ccccc2)CC1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 5/20 0.53
MC4R P32245 1/20 0.50
LMNA P02545 1/20 0.49
POLB P06746 1/20 0.49
HRH3 Q9Y5N1 1/20 0.48
ACHE P22303 1/20 0.47
DRD4 P21917 1/20 0.45
PHGDH O43175 1/20 0.44
MGLL Q99685 1/20 0.44
ABL1 P00519 1/20 0.43
RIN1 Q13671 1/20 0.43
CYP3A4 P08684 1/20 0.42
HSD17B10 Q99714 1/20 0.42
CCR3 P51677 1/20 0.42

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
SCHEMBL8380136 0.87 SIGMAR1 (0.57) SIGMAR1MC4RLMNAPOLBHRH3
SCHEMBL7499611 0.85 SIGMAR1 (0.55) SIGMAR1MC4RLMNAPOLBHRH3
SCHEMBL5763310 0.83 CCR3 (0.55) SIGMAR1MC4RHRH3CCR3
SCHEMBL2452523 0.80 SIGMAR1 (0.57) SIGMAR1MC4RLMNAPOLBHRH3
SCHEMBL4772258 0.80 SIGMAR1 (0.61) SIGMAR1MC4RLMNAPOLBHRH3
SCHEMBL8825553 0.78 SIGMAR1 (0.46) SIGMAR1MC4RLMNAPOLBHRH3
SCHEMBL7380692 0.75 SIGMAR1 (0.55) SIGMAR1MC4RLMNAPOLBHRH3
SCHEMBL11049690 0.75 MEN1 (0.54) SIGMAR1LMNACYP3A4
SCHEMBL10361906 0.75 TACR1 (0.53) POLBACHE
SCHEMBL9690053 0.75 MEN1 (0.48) SIGMAR1LMNAACHEABL1RIN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7485651-B2 Compounds with activity on muscarinic receptors ACADIA PHARMACEUTICALS, INC. (US) 2009-02-03 US disclosed
US-20080108618-A1 COMPOUNDS WITH ACTIVITY ON MUSCARINIC RECEPTORS BRANN MARK 2008-05-08 US 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
US-20030144285-A1 Compounds with activity on muscarinic receptors BRANN MARK (US) 2003-07-31 US disclosed
US-6528529-B1 4-Methoxy-1-(4-(2-methylphenyl)-4-oxo-1-butyl)piperidine ACADIA PHARMACEUTICALS INC. 2003-03-04 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
WO-2001005763-A2 COMPOUNDS WITH ACTIVITY ON MUSCARINIC RECEPTORS ACADIA PHARMACEUTICALS, INC. (US) 2001-01-25 WO disclosed
EP-1068185-A1 COMPOUNDS WITH ACTIVITY ON MUSCARINIC RECEPTORS Acadia Pharmaceuticals Inc. (US) 2001-01-17 EP disclosed
WO-1999050247-A1 COMPOUNDS WITH ACTIVITY ON MUSCARINIC RECEPTORS ACADIA PHARMACEUTICALS, INC. (US) 1999-10-07 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 (5 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-20080108618-A1 COMPOUNDS WITH ACTIVITY ON MUSCARINIC RECEPTORS CHRM3, CHRM2, CHRM1 SIGMAR1 219/4885MC4R 199/4885LMNA 1850/4885
US-20020037886-A1 Muscarinic agonists CHRM2, CHRM1, CHRM4 SIGMAR1 266/4885MC4R 53/4885LMNA 1956/4885
US-20030144285-A1 Compounds with activity on muscarinic receptors CHRM3, CHRM2, CHRM1 SIGMAR1 219/4885MC4R 199/4885LMNA 1850/4885
US-20070155795-A1 MUSCARINIC AGONISTS CHRM2, CHRM1, CHRM4 SIGMAR1 266/4885MC4R 53/4885LMNA 1956/4885
US-20050113357-A1 Muscarinic agonists CHRM2, CHRM1, CHRM4 SIGMAR1 266/4885MC4R 53/4885LMNA 1956/4885

“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.