SCHEMBL317581

SCHEMBL317581

OC(CCC1CCCCC1)c1cc[c]cc1

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 1/20 0.39
METAP1 P53582 1/20 0.37
KDM4E B2RXH2 2/20 0.34
ACHE P22303 1/20 0.33
IL5 P05113 1/20 0.33
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
SLC6A3 Q01959 1/20 0.32

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
SCHEMBL1521003 0.83 KDM4E (0.49) KDM4ESLC6A2SLC6A4SLC6A3
SCHEMBL317285 0.83 CYP1A2 (0.39)
SCHEMBL10021099 0.80 KMT2A (0.43) GRIN2BMETAP1
SCHEMBL13232174 0.80 EPHX1 (0.47) GRIN2BACHE
SCHEMBL7904549 0.73 METAP1 (0.34) METAP1
SCHEMBL17073447 0.73 RIPK1 (0.53) GRIN2BKDM4ESLC6A2SLC6A4SLC6A3
SCHEMBL317788 0.73 DHODH (0.50) KDM4E
SCHEMBL7897653 0.72 CHRM1 (0.48) SLC6A2SLC6A4SLC6A3
SCHEMBL8336164 0.71 DHODH (0.47) KDM4ESLC6A3
SCHEMBL12982580 0.70 RIPK1 (0.35) SLC6A2SLC6A4SLC6A3

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 156 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
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
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-9365485-B2 Substituted arylcyclopentenes as therapeutic agents ALLERGAN, INC. (US) 2016-06-14 US disclosed
US-20070265321-A1 THERAPEUTIC COMPOUNDS ALLERGAN, INC. 2007-11-15 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 (8 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 GRIN2B 2194/4885METAP1 2470/4885KDM4E 3984/4885
US-20140323510-A1 SUBSTITUTED ARYLCYCLOPENTENES AS THERAPEUTIC AGENTS ABCB1, THPO, UGT2B7 GRIN2B 3420/4885METAP1 2699/4885KDM4E 2381/4885
US-20070259929-A1 Therapeutic Compounds PIGO, CYC1, COXFA4L2 GRIN2B 1865/4885METAP1 1825/4885KDM4E 4030/4885
US-20070259947-A1 THERAPEUTIC COMPOUNDS GOT2, ANXA5, MMP8 GRIN2B 1930/4885METAP1 2339/4885KDM4E 4189/4885
US-20070265321-A1 THERAPEUTIC COMPOUNDS ACER2, SLC10A1, ASAH2 GRIN2B 1986/4885METAP1 770/4885KDM4E 3697/4885
US-20170057941-A1 SUBSTITUTED ARYLCYCLOPENTENES AS THERAPEUTIC AGENTS ABCB1, THPO, UGT2B7 GRIN2B 3420/4885METAP1 2699/4885KDM4E 2381/4885
US-20090192151-A1 THERAPEUTIC AMIDES AND RELATED COMPOUNDS VIP, SHH, GLI1 GRIN2B 2607/4885METAP1 4027/4885KDM4E 1468/4885
US-20100137347-A1 SUBSTITUTED ARYLCYCLOPENTENES AS THERAPEUTIC AGENTS ABCB1, THPO, UGT2B7 GRIN2B 2923/4885METAP1 2598/4885KDM4E 2953/4885

“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.