SCHEMBL4021580

SCHEMBL4021580

CCOC(=O)C1(c2cccs2)CCC1C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 4/20 0.43
SLC6A4 P31645 4/20 0.43
BRD4 O60885 2/20 0.39
PKM P14618 1/20 0.39
KMT2A Q03164 2/20 0.39
ALDH1A1 P00352 2/20 0.39
ADORA2B P29275 1/20 0.39
MEN1 O00255 1/20 0.39
HSD17B10 Q99714 1/20 0.39
SLC22A1 O15245 1/20 0.39
OPRM1 P35372 2/20 0.39
OPRD1 P41143 2/20 0.39
OPRK1 P41145 2/20 0.39
LMNA P02545 1/20 0.39
TSHR P16473 1/20 0.39
KDM4E B2RXH2 1/20 0.38
CHRM2 P08172 1/20 0.38
CHRM5 P08912 1/20 0.38
CHRM3 P20309 1/20 0.38
CYP2D6 P10635 1/20 0.38

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
SCHEMBL8189527 0.91 LMNA (0.41) SLC6A2SLC6A4BRD4PKMALDH1A1
SCHEMBL7415776 0.78 CHRM3 (0.51) SLC6A2SLC6A4SLC22A1OPRM1OPRD1
SCHEMBL11264454 0.77 SLC6A2 (0.38) SLC6A2SLC6A4PKMKMT2AALDH1A1
SCHEMBL1428246 0.77 CHRM3 (0.53) SLC6A2SLC6A4SLC22A1OPRM1OPRD1
SCHEMBL7414392 0.77 CHRM3 (0.53) SLC6A2SLC6A4SLC22A1OPRM1OPRD1
SCHEMBL1428238 0.76 OPRM1 (0.44) SLC6A4ALDH1A1SLC22A1OPRM1OPRD1
SCHEMBL7425414 0.75 TP53 (0.58) KMT2AALDH1A1LMNAKDM4E
SCHEMBL8700636 0.72 PKM (0.42) SLC6A2SLC6A4BRD4PKMKMT2A
SCHEMBL244317 0.72 OPRM1 (0.43) SLC6A4PKMKMT2AALDH1A1ADORA2B
Hydrochloric Acid SCHEMBL8317887 0.72 CHRM3 (0.40) SLC6A2SLC6A4ALDH1A1SLC22A1OPRM1

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 12 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
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 SLC6A2 3255/4885SLC6A4 2398/4885BRD4 1775/4885
US-20020187961-A1 Omega-cycloalkyl 17-heteroaryl prostaglandin E2 analogs as EP2-receptor agonists PTGER2, PTGER1, PTGER3 SLC6A2 3546/4885SLC6A4 3636/4885BRD4 3201/4885
US-20070219262-A1 omega-Cycloalkyl 17-Heteroaryl Prostaglandin E2 Analogs as EP2-Receptor Agonists PTGER4, PTGER2, LTB4R2 SLC6A2 3194/4885SLC6A4 1541/4885BRD4 974/4885
US-20050113338-A1 Cycloalkyl 17-heteroaryl prostaglandin E2 analogs as EP2-receptor agonists PTGER4, PTGER2, LTB4R2 SLC6A2 3434/4885SLC6A4 1747/4885BRD4 817/4885
US-20040106580-A1 Omega-cycloalkyl 17-heteroaryl prostaglandin E2 analogs as EP2-receptor agonists PTGER2, PTGER4, PTGER1 SLC6A2 3555/4885SLC6A4 2688/4885BRD4 1812/4885

“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.