SCHEMBL2767709

SCHEMBL2767709

C[C@H]1CN(Cc2ccc(N(C)C(=O)C3CCN(Cc4ccc(F)cc4)CC3)cc2)CCN1C(=O)O

nearest known ligand 0.69

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MLNR O43193 6/20 0.69
CCR1 P32246 2/20 0.51
CCR5 P51681 7/20 0.50
GAA P10253 2/20 0.48
KDM4E B2RXH2 2/20 0.48
LMNA P02545 1/20 0.48
ALDH1A1 P00352 1/20 0.46
CACNA1G O43497 1/20 0.46
FPR3 P25089 1/20 0.45
GPR65 Q8IYL9 1/20 0.45
GPR35 Q9HC97 1/20 0.45

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
SCHEMBL2766459 0.93 MLNR (0.60) MLNRCCR1CCR5FPR3GPR65
SCHEMBL2767668 0.91 MLNR (0.72) MLNRCCR1CCR5ALDH1A1CACNA1G
SCHEMBL2766379 0.91 MLNR (0.58) MLNRCCR1CCR5KDM4EALDH1A1
SCHEMBL15152914 0.89 MLNR (0.56) MLNRCCR1CCR5FPR3GPR65
SCHEMBL15152665 0.88 MLNR (0.73) MLNRCCR1CCR5FPR3GPR65
SCHEMBL15152664 0.88 MLNR (0.73) MLNRCCR1CCR5FPR3GPR65
SCHEMBL3558154 0.88 MLNR (0.72) MLNRCCR5KDM4EALDH1A1
SCHEMBL13404731 0.87 MLNR (0.63) MLNRCCR1CCR5GAACACNA1G
SCHEMBL15152692 0.86 MLNR (0.51) MLNRCCR1CCR5KDM4EALDH1A1
SCHEMBL2766816 0.84 MLNR (0.57) MLNRCCR5KDM4ELMNAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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 (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-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 MLNR 25/4885CCR1 935/4885CCR5 869/4885

“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.