SCHEMBL5507381

SCHEMBL5507381

CC1CCC1(CO)c1cccs1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 2/20 0.38
CHRM2 P08172 1/20 0.38
CHRM4 P08173 1/20 0.38
CHRM5 P08912 1/20 0.38
CHRM1 P11229 1/20 0.38
CHRM3 P20309 1/20 0.38
OPRM1 P35372 2/20 0.36
OPRL1 P41146 2/20 0.36
SLC6A3 Q01959 1/20 0.36
LMNA P02545 1/20 0.35
TSHR P16473 1/20 0.35
SLC6A4 P31645 2/20 0.35
MEN1 O00255 1/20 0.34
PRCP P42785 1/20 0.34
KMT2A Q03164 1/20 0.34
SIGMAR1 Q99720 1/20 0.34
KCNA3 P22001 1/20 0.34

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
SCHEMBL15850531 0.71 SLC6A3 (0.46) SLC6A2CHRM2CHRM4CHRM5CHRM1
SCHEMBL6598744 0.71 KCNA3 (0.38) SLC6A2CHRM3SLC6A3LMNATSHR
SCHEMBL4021039 0.71 SLC6A3 (0.36) SLC6A2CHRM2CHRM4CHRM5CHRM1
SCHEMBL25358932 0.70 SLC6A2 (0.55) SLC6A2CHRM2CHRM4CHRM5CHRM1
SCHEMBL6916553 0.68 CHRM3 (0.48) SLC6A2CHRM2CHRM4CHRM5CHRM1
SCHEMBL4021580 0.67 SLC6A2 (0.43) SLC6A2CHRM2CHRM5CHRM3OPRM1
SCHEMBL4021923 0.66 SLC6A4 (0.36) SLC6A2CHRM2CHRM4CHRM5CHRM1
SCHEMBL4025459 0.65 SLC6A3 (0.35) SLC6A2CHRM2CHRM4CHRM5CHRM1
SCHEMBL6595863 0.65 SLC6A3 (0.50) SLC6A2CHRM2CHRM4CHRM5CHRM1
SCHEMBL6599116 0.64 SLC6A3 (0.42) SLC6A2CHRM3SLC6A3LMNATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7223746-B2 Omega cycloalkyl 17-heteroaryl prostaglandin E2 analogs as EP2-receptor agonists ALLERGAN, INC. (US) 2007-05-29 US disclosed
EP-1438104-B1 CO-CYCLOALKYL 17-HETEROARYL PROSTAGLANDIN E2 ANALOGS AS EP2-RECEPTOR AGONISTS ALLERGAN INC (US) 2006-04-05 EP disclosed
US-7022726-B2 ω-cycloalkyl 17-heteroaryl prostaglandin E2 analogs as EP2-receptor agonists ALLERGAN, INC. (US) 2006-04-04 US disclosed
EP-1442033-B1 OMEGA-CYCLOALKYL 17-HETEROARYL PROSTAGLANDIN E2 ANALOGS AS EP2-RECEPTOR AGONISTS ALLERGAN INC (US) 2005-09-28 EP disclosed
US-20050113338-A1 Cycloalkyl 17-heteroaryl prostaglandin E2 analogs as EP2-receptor agonists ALLERGAN, INC. 2005-05-26 US disclosed
EP-1442033-A1 OMEGA-CYCLOALKYL 17-HETEROARYL PROSTAGLANDIN E2 ANALOGS AS EP2-RECEPTOR AGONISTS Allergan, Inc. (US) 2004-08-04 EP disclosed
US-20040106580-A1 Omega-cycloalkyl 17-heteroaryl prostaglandin E2 analogs as EP2-receptor agonists ALLERGAN INC. 2004-06-03 US disclosed
US-6710072-B2 VISION DEFECTS ALLERGAN, INC. 2004-03-23 US disclosed
US-20030130239-A1 Omega-cycloalkyl 17-heteroaryl prostaglandin E2 analogs as EP2-receptor agonists ALLERGAN, INC. 2003-07-10 US disclosed
US-6586462-B2 ω-Cycloalkyl 17-heteroaryl prostaglandin E2 analogs as EP2-receptor agonists ALLERGAN, INC. 2003-07-01 US disclosed
WO-2003040126-A1 φ-CYCLOALKYL 17-HETEROARYL PROSTAGLANDIN E2 ANALOGS AS EP2-RECEPTOR AGONISTS ALLERGAN, INC. (US) 2003-05-15 WO disclosed
US-20020187961-A1 Omega-cycloalkyl 17-heteroaryl prostaglandin E2 analogs as EP2-receptor agonists ALLERGAN, INC. 2002-12-12 US disclosed
US-6376533-B1 VISION DEFECTS ALLERGAN SALES, INC. 2002-04-23 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-20030130239-A1 Omega-cycloalkyl 17-heteroaryl prostaglandin E2 analogs as EP2-receptor agonists PTGER2, PTGER4, PTGER1 SLC6A2 3255/4885CHRM2 425/4885CHRM4 364/4885
US-20020187961-A1 Omega-cycloalkyl 17-heteroaryl prostaglandin E2 analogs as EP2-receptor agonists PTGER2, PTGER1, PTGER3 SLC6A2 3546/4885CHRM2 451/4885CHRM4 1095/4885
US-20050113338-A1 Cycloalkyl 17-heteroaryl prostaglandin E2 analogs as EP2-receptor agonists PTGER4, PTGER2, LTB4R2 SLC6A2 3434/4885CHRM2 348/4885CHRM4 168/4885
US-20040106580-A1 Omega-cycloalkyl 17-heteroaryl prostaglandin E2 analogs as EP2-receptor agonists PTGER2, PTGER4, PTGER1 SLC6A2 3555/4885CHRM2 419/4885CHRM4 371/4885

“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.