SCHEMBL3135296

SCHEMBL3135296

C[C@H]1CN(Cc2cc[nH]n2)CCN1C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 3/20 0.41
MGLL Q99685 4/20 0.40
PTGDR2 Q9Y5Y4 11/20 0.40
DRD2 P14416 1/20 0.37
DRD3 P35462 1/20 0.37
FAAH O00519 1/20 0.37
FPR3 P25089 1/20 0.37
GPR65 Q8IYL9 1/20 0.37
GPR35 Q9HC97 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
SCHEMBL2007646 0.83 PDK1 (0.51) MGLLPTGDR2
SCHEMBL2007649 0.78 CA1 (0.40)
SCHEMBL28456817 0.76 MGLL (0.40) CCR1MGLLPTGDR2DRD2DRD3
SCHEMBL17941914 0.76 MGLL (0.40) CCR1MGLLPTGDR2DRD2DRD3
SCHEMBL14645770 0.75 MGLL (0.56) CCR1MGLLPTGDR2
SCHEMBL20788244 0.75 CCR1 (0.47) CCR1MGLLPTGDR2FPR3GPR65
SCHEMBL20788251 0.75 CCR1 (0.47) CCR1MGLLPTGDR2FPR3GPR65
SCHEMBL4047974 0.75 FAAH (0.52) CCR1MGLLPTGDR2DRD2DRD3
SCHEMBL5743699 0.73 ALOX15 (0.39) DRD2DRD3
SCHEMBL18011026 0.73 ALOX15 (0.39) DRD2DRD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1960390-B1 BIARYL COMPOUNDS USEFUL AS AGONISTS OF THE GPR38 RECEPTOR GLAXO GROUP LTD (GB) 2010-07-21 EP disclosed
US-20080306083-A1 Biaryl Compounds Useful as Agonists of the Gpr38 Receptor GLAXO GROUP LIMITED 2008-12-11 US disclosed
EP-1960390-A1 BIARYL COMPOUNDS USEFUL AS AGONISTS OF THE GPR38 RECEPTOR GLAXO GROUP LIMITED (GB) 2008-08-27 EP disclosed
WO-2007065669-A1 BIARYL COMPOUNDS USEFUL AS AGONISTS OF THE GPR38 RECEPTOR GLAXO GROUP LIMITED (GB) 2007-06-14 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 (1 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-20080306083-A1 Biaryl Compounds Useful as Agonists of the Gpr38 Receptor GPR88, GPR68, GPBAR1 CCR1 1017/4885MGLL 398/4885PTGDR2 106/4885

“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.