SCHEMBL2767018

SCHEMBL2767018

C[C@H]1CN(Cc2ccc(N)c(F)c2)CCN1C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 13/20 0.46
FPR3 P25089 1/20 0.45
GPR65 Q8IYL9 1/20 0.45
GPR35 Q9HC97 1/20 0.45
MGLL Q99685 3/20 0.43
PTGDR2 Q9Y5Y4 2/20 0.43
DPP4 P27487 1/20 0.42
DPP8 Q6V1X1 1/20 0.42
CHRM4 P08173 1/20 0.41

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
SCHEMBL13404739 0.85 CCR1 (0.44) CCR1FPR3GPR65GPR35MGLL
SCHEMBL2768214 0.84 CCR1 (0.49) CCR1FPR3GPR65GPR35
SCHEMBL2766247 0.82 MGLL (0.50) CCR1FPR3GPR65GPR35MGLL
SCHEMBL2768126 0.82 MGLL (0.50) CCR1FPR3GPR65GPR35MGLL
SCHEMBL12156624 0.82 MGLL (0.50) CCR1FPR3GPR65GPR35MGLL
SCHEMBL2768838 0.82 ALDH1A1 (0.43) CCR1FPR3GPR65GPR35MGLL
SCHEMBL2768836 0.82 ALDH1A1 (0.43) CCR1FPR3GPR65GPR35MGLL
SCHEMBL27034618 0.81 DPP4 (0.53) CCR1FPR3GPR65GPR35PTGDR2
SCHEMBL2767134 0.79 PTGDR2 (0.45) CCR1FPR3GPR65GPR35MGLL
SCHEMBL28927825 0.78 MGLL (0.51) CCR1FPR3GPR65GPR35MGLL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8853218-B2 Compounds GLAXO GROUP LIMITED (GB) 2014-10-07 US disclosed
EP-2041093-B1 PIPERAZINYL DERIVATIVES USEFUL IN THE TREATMENT OF GPR38 RECEPTOR MEDIATED DISEASES GLAXO GROUP LTD (GB) 2010-04-21 EP disclosed
US-7700599-B2 G protein coupled receptor inhibitors (Gpr38) such as 6-[(4-fluorophenyl)oxy]-N-methyl-N-(4-{[(3S)-3-methyl-1-piperazinyl]methyl}phenyl)-3-pyridinecarboxamide for treatment of gastric stasis in an enterally fed patient GLAXO GROUP LIMITED (GB) 2010-04-20 US disclosed
US-20090192160-A1 COMPOUNDS GLAXO GROUP LIMITED 2009-07-30 US disclosed
US-20080027065-A1 G protein coupled receptor inhibitors (Gpr38) such as 6-[(4-fluorophenyl)oxy]-N-methyl-N-(4-{[(3S)-3-methyl-1-piperazinyl]methyl}phenyl)-3-pyridinecarboxamide for treatment of gastric stasis in an enterally fed patient GLAXO GROUP LIMITED (GB) 2008-01-31 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-20080027065-A1 G protein coupled receptor inhibitors (Gpr38) such as 6-[(4-fluorophenyl)oxy]-N-methyl-N-(4-{[(3S)-3-methyl-1-piperazinyl]methyl}phenyl)-3-pyridinecarboxamide for treatment of gastric stasis in an enterally fed patient GPR68, GPR88, GPR3 CCR1 935/4885FPR3 222/4885GPR65 7/4885
US-20090192160-A1 COMPOUNDS GPR68, GPR88, GPBAR1 CCR1 549/4885FPR3 267/4885GPR65 6/4885

“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.