SCHEMBL1704091

SCHEMBL1704091

C[C@H]1CN(Cc2ccc(CC(=O)O)cc2)CCN1C(=O)OC(C)(C)C

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 12/20 0.52
CCR1 P32246 1/20 0.45
GPR119 Q8TDV5 2/20 0.45
MGLL Q99685 1/20 0.44
SETD7 Q8WTS6 1/20 0.41
MAP4K4 O95819 1/20 0.40
OPRK1 P41145 1/20 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
SCHEMBL4625997 1.00 PTGDR2 (0.52) PTGDR2CCR1GPR119MGLLSETD7
SCHEMBL3664004 0.89 MGLL (0.49) PTGDR2CCR1GPR119MGLL
SCHEMBL3664002 0.89 MGLL (0.49) PTGDR2CCR1GPR119MGLL
SCHEMBL7968974 0.89 MGLL (0.49) PTGDR2CCR1GPR119MGLL
SCHEMBL1704761 0.89 CCR1 (0.44) PTGDR2CCR1GPR119MGLLSETD7
SCHEMBL29269208 0.88 CCR1 (0.47) PTGDR2CCR1GPR119MGLLSETD7
SCHEMBL29269210 0.88 CCR1 (0.47) PTGDR2CCR1GPR119MGLLSETD7
SCHEMBL29269207 0.88 CCR1 (0.47) PTGDR2CCR1GPR119MGLLSETD7
SCHEMBL1704225 0.88 PTGDR2 (0.55) PTGDR2CCR1GPR119OPRK1
SCHEMBL377466 0.87 CCR1 (0.46) PTGDR2CCR1GPR119MGLLSETD7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130317041-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2013-11-28 US disclosed
US-8536182-B2 Benzylpiperazine derivatives and their medical use GLAXO GROUP LIMITED (GB) 2013-09-17 US disclosed
EP-1907374-B1 Benzylpiperazine derivatives useful for the treatment of gastrointestinal disorders GLAXO GROUP LTD (GB) 2012-08-22 EP disclosed
EP-2441763-A1 Benzylpiperazine derivatives useful for the treatment of gastrointestinal disorders Glaxo Group Limited (GB) 2012-04-18 EP disclosed
US-20090054456-A1 BENZYLPIPERAZINE DERIVATIVES AND THEIR MEDICAL USE GLAXO GROUP LIMITED (GB) 2009-02-26 US disclosed
EP-1907374-A2 COMPOUNDS GLAXO GROUP LIMITED (GB) 2008-04-09 EP disclosed
WO-2007012479-A2 BENZYLPIPERAZINE DERIVATES AND THEIR MEDICAL USE GLAXO GROUP LIMITED (GB) 2007-02-01 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-20090054456-A1 BENZYLPIPERAZINE DERIVATIVES AND THEIR MEDICAL USE GPR68, GPR88, GPR55 PTGDR2 37/4885CCR1 1073/4885GPR119 12/4885
US-20130317041-A1 COMPOUNDS GPR68, GPR88, GPR35 PTGDR2 115/4885CCR1 900/4885GPR119 16/4885

“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.