SCHEMBL4185696

SCHEMBL4185696

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

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 2/20 0.43
GPR119 Q8TDV5 3/20 0.43
MGLL Q99685 2/20 0.42
PTGDR2 Q9Y5Y4 6/20 0.42
AGTR2 P50052 1/20 0.39
SETD7 Q8WTS6 1/20 0.39
MAP4K4 O95819 1/20 0.39
HSD11B1 P28845 1/20 0.38
FPR3 P25089 1/20 0.37
GPR65 Q8IYL9 1/20 0.37
GPR35 Q9HC97 1/20 0.37
PDK1 Q15118 1/20 0.37
PDK2 Q15119 1/20 0.37
PDK3 Q15120 1/20 0.37
PDK4 Q16654 1/20 0.37

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
SCHEMBL4609198 0.93 CCR1 (0.40) CCR1GPR119MGLLPTGDR2AGTR2
SCHEMBL1704705 0.90 PTGDR2 (0.44) CCR1GPR119MGLLPTGDR2AGTR2
SCHEMBL1704499 0.89 CCR1 (0.41) CCR1GPR119MGLLPTGDR2SETD7
SCHEMBL3664004 0.86 MGLL (0.49) CCR1GPR119MGLLPTGDR2AGTR2
SCHEMBL7968974 0.86 MGLL (0.49) CCR1GPR119MGLLPTGDR2AGTR2
SCHEMBL3664002 0.86 MGLL (0.49) CCR1GPR119MGLLPTGDR2AGTR2
SCHEMBL4625997 0.85 PTGDR2 (0.52) CCR1GPR119MGLLPTGDR2SETD7
SCHEMBL1704091 0.85 PTGDR2 (0.52) CCR1GPR119MGLLPTGDR2SETD7
SCHEMBL29269210 0.85 CCR1 (0.47) CCR1GPR119MGLLPTGDR2SETD7
SCHEMBL29269207 0.85 CCR1 (0.47) CCR1GPR119MGLLPTGDR2SETD7

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 6 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
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 CCR1 1073/4885GPR119 12/4885MGLL 1542/4885
US-20130317041-A1 COMPOUNDS GPR68, GPR88, GPR35 CCR1 900/4885GPR119 16/4885MGLL 1216/4885

“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.