SCHEMBL4025459

SCHEMBL4025459

CC#CC(O)C1(c2cccs2)CCC1C

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 1/20 0.35
CHRM2 P08172 1/20 0.33
CHRM4 P08173 1/20 0.33
CHRM5 P08912 1/20 0.33
CHRM1 P11229 1/20 0.33
CHRM3 P20309 1/20 0.33
SLC6A4 P31645 1/20 0.33
OPRM1 P35372 2/20 0.32
OPRL1 P41146 2/20 0.32
OPRD1 P41143 1/20 0.32
OPRK1 P41145 1/20 0.32
SLC6A2 P23975 1/20 0.31
KMT2A Q03164 2/20 0.30
MEN1 O00255 1/20 0.30
PRCP P42785 1/20 0.30
SIGMAR1 Q99720 1/20 0.30

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
SCHEMBL4021923 0.76 SLC6A4 (0.36) SLC6A3CHRM2CHRM4CHRM5CHRM1
SCHEMBL6781560 0.69 SLC6A4 (0.32) SLC6A3SLC6A4SLC6A2
SCHEMBL15850531 0.65 SLC6A3 (0.46) SLC6A3CHRM2CHRM4CHRM5CHRM1
SCHEMBL5507381 0.65 SLC6A2 (0.38) SLC6A3CHRM2CHRM4CHRM5CHRM1
SCHEMBL4025455 0.63 HSD11B1 (0.38) KMT2A
SCHEMBL6916553 0.62 CHRM3 (0.48) SLC6A3CHRM2CHRM4CHRM5CHRM1
SCHEMBL4021039 0.62 SLC6A3 (0.36) SLC6A3CHRM2CHRM4CHRM5CHRM1
SCHEMBL4021580 0.61 SLC6A2 (0.43) CHRM2CHRM5CHRM3SLC6A4OPRM1
SCHEMBL27715365 0.60 NPC1 (0.38) SLC6A3KMT2AMEN1
SCHEMBL6595795 0.59 SLC6A3 (0.40) SLC6A3CHRM3SLC6A4OPRM1OPRL1

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-7514462-B2 ω-Cycloalkyl 17-heteroaryl prostaglandin E2 analogs as EP2-receptor agonists ALLERGAN, INC. (US) 2009-04-07 US disclosed
US-20070219262-A1 omega-Cycloalkyl 17-Heteroaryl Prostaglandin E2 Analogs as EP2-Receptor Agonists ALLERGAN, INC. 2007-09-20 US disclosed
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
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
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 (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-20030130239-A1 Omega-cycloalkyl 17-heteroaryl prostaglandin E2 analogs as EP2-receptor agonists PTGER2, PTGER4, PTGER1 SLC6A3 4009/4885CHRM2 425/4885CHRM4 364/4885
US-20020187961-A1 Omega-cycloalkyl 17-heteroaryl prostaglandin E2 analogs as EP2-receptor agonists PTGER2, PTGER1, PTGER3 SLC6A3 4129/4885CHRM2 451/4885CHRM4 1095/4885
US-20070219262-A1 omega-Cycloalkyl 17-Heteroaryl Prostaglandin E2 Analogs as EP2-Receptor Agonists PTGER4, PTGER2, LTB4R2 SLC6A3 3881/4885CHRM2 332/4885CHRM4 132/4885
US-20050113338-A1 Cycloalkyl 17-heteroaryl prostaglandin E2 analogs as EP2-receptor agonists PTGER4, PTGER2, LTB4R2 SLC6A3 3943/4885CHRM2 348/4885CHRM4 168/4885
US-20040106580-A1 Omega-cycloalkyl 17-heteroaryl prostaglandin E2 analogs as EP2-receptor agonists PTGER2, PTGER4, PTGER1 SLC6A3 4076/4885CHRM2 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.