SCHEMBL5331340

SCHEMBL5331340

Cc1c(CCCCl)sc2ccc(F)cc12

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 4/20 0.38
MTNR1B P49286 4/20 0.38
CRHR1 P34998 2/20 0.36
MAPT P10636 1/20 0.36
CYP17A1 P05093 1/20 0.35
CMA1 P23946 4/20 0.34
HRH1 P35367 2/20 0.34
CYP2D6 P10635 1/20 0.34
CHRM1 P11229 1/20 0.34
HTR2A P28223 1/20 0.34
KCNH2 Q12809 1/20 0.32
CXCR2 P25025 1/20 0.31
MPO P05164 1/20 0.31
SLC6A4 P31645 1/20 0.31
TBXAS1 P24557 1/20 0.31

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
SCHEMBL1251629 0.81 MPO (0.40) MTNR1AMTNR1BCRHR1MAPTCYP17A1
SCHEMBL12810668 0.79 CRHR1 (0.40) MTNR1AMTNR1BCRHR1MAPTCYP17A1
SCHEMBL1251627 0.75 CMA1 (0.38) MTNR1AMTNR1BCRHR1MAPTCYP17A1
SCHEMBL2614663 0.71 CYP17A1 (0.42) CRHR1CYP17A1CMA1
SCHEMBL5336905 0.70 CHRM1 (0.46) HRH1CHRM1HTR2ASLC6A4
SCHEMBL4491632 0.70 CMA1 (0.37) MTNR1AMTNR1BCRHR1MAPTCYP17A1
SCHEMBL6964199 0.70 CXCR2 (0.42) MTNR1AMTNR1BCMA1CXCR2TBXAS1
SCHEMBL6985740 0.69 MTNR1A (0.55) MTNR1AMTNR1BMAPTMPO
SCHEMBL545078 0.68 CYP17A1 (0.40) MTNR1AMTNR1BCRHR1CYP17A1CMA1
SCHEMBL17969060 0.68 CYP17A1 (0.40) MTNR1AMTNR1BCRHR1CYP17A1CMA1

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-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 MTNR1A 35/4885MTNR1B 33/4885CRHR1 194/4885
US-20070155795-A1 MUSCARINIC AGONISTS CHRM2, CHRM1, CHRM4 MTNR1A 35/4885MTNR1B 33/4885CRHR1 194/4885
US-20050113357-A1 Muscarinic agonists CHRM2, CHRM1, CHRM4 MTNR1A 35/4885MTNR1B 33/4885CRHR1 194/4885

“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.