SCHEMBL318512

SCHEMBL318512

CCCC1(C(O)c2c[c]ccc2)CCC1

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PTGER2 P43116 8/20 0.41
PTGER3 P43115 5/20 0.41
OPRM1 P35372 1/20 0.30
OPRD1 P41143 1/20 0.30
OPRK1 P41145 1/20 0.30
OPRL1 P41146 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
SCHEMBL317580 0.82 PTGER2 (0.38) PTGER2PTGER3OPRM1OPRD1OPRK1
SCHEMBL3402623 0.82 PTGER2 (0.45) PTGER2PTGER3OPRM1OPRD1OPRK1
SCHEMBL13232170 0.75 PTGER2 (0.46) PTGER2PTGER3
SCHEMBL10021104 0.75 PTGER2 (0.46) PTGER2PTGER3OPRM1OPRD1OPRK1
SCHEMBL10021107 0.74 PTGER2 (0.41) PTGER2PTGER3
SCHEMBL13232169 0.74 PTGER2 (0.41) PTGER2PTGER3
SCHEMBL1396559 0.73 PTGER2 (0.37) PTGER2PTGER3
SCHEMBL14368236 0.73 OPRL1 (0.48) PTGER2PTGER3OPRM1OPRD1OPRK1
SCHEMBL13313985 0.73 PTGER2 (0.40) PTGER2PTGER3
SCHEMBL1145769 0.72 CETP (0.34) PTGER2PTGER3

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 151 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9365485-B2 Substituted arylcyclopentenes as therapeutic agents ALLERGAN, INC. (US) 2016-06-14 US claimed
US-20140323510-A1 SUBSTITUTED ARYLCYCLOPENTENES AS THERAPEUTIC AGENTS ALLERGAN, INC. (US) 2014-10-30 US claimed
US-8722726-B2 Substituted arylcyclopentenes as therapeutic agents ALLERGAN, INC. (US) 2014-05-13 US claimed
EP-2118094-B1 GAMMA-LACTAMS FOR THE TREATMENT OF GLAUCOMA OR ELEVATED INTRAOCULAR PRESSURE ALLERGAN INC (US) 2013-04-17 EP claimed
EP-2257548-B1 THERAPEUTIC COMPOUNDS ALLERGAN INC (US) 2012-12-26 EP claimed
US-7956051-B2 Therapeutic amides and related compounds ALLERGAN, INC. (US) 2011-06-07 US claimed
EP-2247583-A1 HYDRAZINES IN GLAUCOMA THERAPY ALLERGAN, INC. (US) 2010-11-10 EP claimed
US-20100137347-A1 SUBSTITUTED ARYLCYCLOPENTENES AS THERAPEUTIC AGENTS ALLERGAN, INC. (US) 2010-06-03 US claimed
EP-2121609-A1 SUBSTITUTED ARYLCYCLOPENTENES AS THERAPEUTIC AGENTS Allergan, Inc. (US) 2009-11-25 EP claimed
WO-2009094286-A1 HYDRAZINES IN GLAUCOMA THERAPY ALLERGAN, INC. (US) 2009-07-30 WO claimed
US-20090192151-A1 THERAPEUTIC AMIDES AND RELATED COMPOUNDS ALLERGAN, INC. 2009-07-30 US claimed
WO-2008091818-A1 SUBSTITUTED ARYLCYCLOPENTENES AS THERAPEUTIC AGENTS ALLERGAN, INC. (US) 2008-07-31 WO claimed
US-9796696-B2 Substituted arylcyclopentenes as therapeutic agents ALLERGAN, INC. (US) 2017-10-24 US disclosed
EP-2027081-B1 THERAPEUTIC PROSTAGLANDIN COMPOUNDS FOR THE TREATMENT OF GLAUCOMA ALLERGAN INC (US) 2017-05-03 EP disclosed
EP-2285775-B1 Lactams and their use in the treatment of inter alia ocular hypertension or baldness ALLERGAN INC (US) 2017-03-22 EP disclosed
US-20170057941-A1 SUBSTITUTED ARYLCYCLOPENTENES AS THERAPEUTIC AGENTS ALLERGAN, INC. 2017-03-02 US disclosed
US-20070259929-A1 Therapeutic Compounds ALLERGAN, INC. 2007-11-08 US disclosed
US-20070259947-A1 THERAPEUTIC COMPOUNDS ALLERGAN, INC. 2007-11-08 US disclosed
US-20070259836-A1 THERAPEUTIC CYCLOPENTANE DERIVATIVES ALLERGAN, INC. 2007-11-08 US disclosed
WO-2007115020-A2 THERAPEUTIC PROSTAGLANDIN COMPOUNDS FOR THE TREATMENT OF GLAUCOMA ALLERGAN, INC. (US) 2007-10-11 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 (7 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-20070259836-A1 THERAPEUTIC CYCLOPENTANE DERIVATIVES PTGIS, PTGIR, CYP11B2 PTGER2 48/4885PTGER3 124/4885OPRM1 1119/4885
US-20140323510-A1 SUBSTITUTED ARYLCYCLOPENTENES AS THERAPEUTIC AGENTS ABCB1, THPO, UGT2B7 PTGER2 1343/4885PTGER3 2592/4885OPRM1 1473/4885
US-20070259929-A1 Therapeutic Compounds PIGO, CYC1, COXFA4L2 PTGER2 456/4885PTGER3 442/4885OPRM1 778/4885
US-20070259947-A1 THERAPEUTIC COMPOUNDS GOT2, ANXA5, MMP8 PTGER2 1449/4885PTGER3 1850/4885OPRM1 713/4885
US-20170057941-A1 SUBSTITUTED ARYLCYCLOPENTENES AS THERAPEUTIC AGENTS ABCB1, THPO, UGT2B7 PTGER2 1343/4885PTGER3 2592/4885OPRM1 1473/4885
US-20090192151-A1 THERAPEUTIC AMIDES AND RELATED COMPOUNDS VIP, SHH, GLI1 PTGER2 475/4885PTGER3 828/4885OPRM1 2483/4885
US-20100137347-A1 SUBSTITUTED ARYLCYCLOPENTENES AS THERAPEUTIC AGENTS ABCB1, THPO, UGT2B7 PTGER2 995/4885PTGER3 2164/4885OPRM1 1186/4885

“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.