SCHEMBL2992422

SCHEMBL2992422

CC(C)(C)c1ccc(N2C(=O)CC[C@H]2CCCCCCC(=O)O)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PTGER2 P43116 14/20 1.00
PTGER3 P43115 12/20 1.00
PTGDR Q13258 5/20 0.52
TBXA2R P21731 1/20 0.48
PTGER1 P34995 1/20 0.43
NR1H4 Q96RI1 1/20 0.40
PTGER4 P35408 6/20 0.40

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
SCHEMBL1310059 1.00 PTGER2 (1.00) PTGER2PTGER3PTGDRTBXA2RPTGER1
SCHEMBL1310058 1.00 PTGER2 (1.00) PTGER2PTGER3PTGDRTBXA2RPTGER1
SCHEMBL2991664 0.85 PTGER2 (0.74) PTGER2PTGER3PTGDRTBXA2RNR1H4
SCHEMBL1311310 0.85 PTGER2 (0.74) PTGER2PTGER3PTGDRTBXA2RNR1H4
SCHEMBL13667619 0.84 PTGER2 (0.72) PTGER2PTGER3PTGDRTBXA2RPTGER1
SCHEMBL13674239 0.84 PTGER2 (0.72) PTGER2PTGER3PTGDRTBXA2RPTGER1
SCHEMBL13227567 0.83 PTGER2 (0.71) PTGER2PTGER3PTGDRPTGER1PTGER4
SCHEMBL13181263 0.83 PTGER2 (0.71) PTGER2PTGER3PTGDRPTGER1PTGER4
SCHEMBL13385600 0.81 PTGER2 (0.69) PTGER2PTGER3PTGDRTBXA2RPTGER1
SCHEMBL12112053 0.81 PTGER2 (0.67) PTGER2PTGER3PTGDRNR1H4PTGER4

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-7550502-B2 Substituted gamma lactams as therapeutic agents ALLERGAN, INC. (US) 2009-06-23 US claimed
US-7781482-B2 Substituted gamma lactams as therapeutic agents ALLERGAN, INC. (US) 2010-08-24 US disclosed
US-7781482-B2 Substituted gamma lactams as therapeutic agents ALLERGAN, INC. (US) 2010-08-24 US disclosed
US-20090227653-A1 SUBSTITUTED GAMMA LACTAMS AS THERAPEUTIC AGENTS ALLERGAN, INC. (US) 2009-09-10 US disclosed
US-20090227653-A1 SUBSTITUTED GAMMA LACTAMS AS THERAPEUTIC AGENTS ALLERGAN, INC. (US) 2009-09-10 US disclosed
US-7550502-B2 Substituted gamma lactams as therapeutic agents ALLERGAN, INC. (US) 2009-06-23 US disclosed
US-7550502-B2 Substituted gamma lactams as therapeutic agents ALLERGAN, INC. (US) 2009-06-23 US disclosed
EP-1996546-A2 SUBSTITUTED GAMMA LACTAMS AS PROSTAGLANDIN EP2 AGONISTS Allergan, Inc. (US) 2008-12-03 EP disclosed
WO-2007109578-A2 SUBSTITUTED GAMMA LACTAMS AS PROSTAGLANDIN EP2 AGONISTS ALLERGAN, INC. (US) 2007-09-27 WO disclosed
WO-2007109578-A2 SUBSTITUTED GAMMA LACTAMS AS PROSTAGLANDIN EP2 AGONISTS ALLERGAN, INC. (US) 2007-09-27 WO disclosed
US-20070219265-A1 SUBSTITUTED GAMMA LACTAMS AS THERAPEUTIC AGENTS ALLERGAN, INC. 2007-09-20 US disclosed
US-20070219265-A1 SUBSTITUTED GAMMA LACTAMS AS THERAPEUTIC AGENTS ALLERGAN, INC. 2007-09-20 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 (2 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-20090227653-A1 SUBSTITUTED GAMMA LACTAMS AS THERAPEUTIC AGENTS GLA, GUSB, GANAB PTGER2 3210/4885PTGER3 2745/4885PTGDR 1340/4885
US-20070219265-A1 SUBSTITUTED GAMMA LACTAMS AS THERAPEUTIC AGENTS GLA, GUSB, GANAB PTGER2 3210/4885PTGER3 2745/4885PTGDR 1340/4885

“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.