SCHEMBL12568637

SCHEMBL12568637

CCCCCCc1ccc(N2C(=O)CC[C@@H]2CO)cc1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 6/20 0.52
SPHK2 Q9NRA0 5/20 0.52
FAAH O00519 1/20 0.48
MGLL Q99685 1/20 0.48
PTGER2 P43116 8/20 0.46
PTGER3 P43115 6/20 0.46
PTGDR Q13258 4/20 0.46
PTGER1 P34995 1/20 0.46
PTGER4 P35408 1/20 0.44
ENPP2 Q13822 1/20 0.43
S1PR1 P21453 4/20 0.43
S1PR3 Q99500 2/20 0.42
S1PR4 O95977 1/20 0.42
S1PR5 Q9H228 1/20 0.42

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
SCHEMBL12112017 1.00 SPHK1 (0.52) SPHK1SPHK2FAAHMGLLPTGER2
SCHEMBL12621415 0.90 FAAH (0.50) SPHK1SPHK2FAAHMGLLPTGER2
SCHEMBL13693307 0.81 FAAH (0.49) SPHK1FAAHMGLLPTGER2PTGER3
SCHEMBL12568629 0.81 FAAH (0.49) SPHK1FAAHMGLLPTGER2PTGER3
SCHEMBL14444576 0.81 FAAH (0.49) SPHK1FAAHMGLLPTGER2PTGER3
SCHEMBL15574686 0.80 PTGER2 (0.41) SPHK1SPHK2PTGER2PTGER3PTGDR
SCHEMBL13693092 0.80 PTGER2 (0.65) PTGER2PTGER3PTGDRPTGER1PTGER4
SCHEMBL19144203 0.80 PTGER2 (0.65) PTGER2PTGER3PTGDRPTGER1PTGER4
SCHEMBL15491993 0.79 PTGER2 (0.53) PTGER2PTGER3PTGDRPTGER1PTGER4
SCHEMBL13747015 0.79 FAAH (0.47) SPHK1FAAHMGLLPTGER2PTGER3

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2121672-B1 SUBSTITUTED GAMMA LACTAMS AS THERAPEUTIC AGENTS ALLERGAN INC (US) 2014-12-10 EP disclosed
US-8377984-B2 Substituted gamma lactams as therapeutic agents ALLERGAN, INC. (US) 2013-02-19 US disclosed
US-8377984-B2 Substituted gamma lactams as therapeutic agents ALLERGAN, INC. (US) 2013-02-19 US disclosed
US-7960381-B2 Substituted gamma lactams as therapeutic agents ALLERGAN, INC. (US) 2011-06-14 US disclosed
US-7960381-B2 Substituted gamma lactams as therapeutic agents ALLERGAN, INC. (US) 2011-06-14 US disclosed
US-20100093729-A1 SUBSTITUTED GAMMA LACTAMS AS THERAPEUTIC AGENTS ALLERGAN, INC. (US) 2010-04-15 US disclosed
US-20100093729-A1 SUBSTITUTED GAMMA LACTAMS AS THERAPEUTIC AGENTS ALLERGAN, INC. (US) 2010-04-15 US disclosed
WO-2009097223-A1 SUBSTITUTED GAMMA LACTAMS AS THERAPEUTIC AGENTS ALLERGAN, INC. (US) 2009-08-06 WO disclosed
US-20090192159-A1 SUBSTITUTED GAMMA LACTAMS AS THERAPEUTIC AGENTS ALLERGAN, INC. 2009-07-30 US disclosed
US-20090192159-A1 SUBSTITUTED GAMMA LACTAMS AS THERAPEUTIC AGENTS ALLERGAN, INC. 2009-07-30 US disclosed
WO-2008094912-A2 SUBSTITUTED GAMMA LACTAMS AS THERAPEUTIC AGENTS ALLERGAN, INC. (US) 2008-08-07 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 (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-20100093729-A1 SUBSTITUTED GAMMA LACTAMS AS THERAPEUTIC AGENTS GLA, GUSB, GANAB SPHK1 2455/4885SPHK2 2505/4885FAAH 3019/4885
US-20090192159-A1 SUBSTITUTED GAMMA LACTAMS AS THERAPEUTIC AGENTS GLA, B3GAT3, TGM1 SPHK1 3618/4885SPHK2 3808/4885FAAH 3057/4885

“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.