SCHEMBL13404758

SCHEMBL13404758

COCCNc1ccc(CN2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)cc1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 10/20 0.47
GPR119 Q8TDV5 2/20 0.41
KMT2A Q03164 1/20 0.39
HIF1A Q16665 4/20 0.39
EPAS1 Q99814 4/20 0.39
FPR3 P25089 1/20 0.39
GPR65 Q8IYL9 1/20 0.39
GPR35 Q9HC97 1/20 0.39
HPGD P15428 1/20 0.38
POLB P06746 1/20 0.38
MGLL Q99685 1/20 0.38

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
SCHEMBL3565831 0.88 CCR1 (0.43) CCR1GPR119FPR3GPR65GPR35
SCHEMBL2768733 0.86 CCR1 (0.50) CCR1KMT2AFPR3GPR65GPR35
SCHEMBL377691 0.85 CCR1 (0.44) CCR1GPR119FPR3GPR65GPR35
SCHEMBL377423 0.85 CCR1 (0.44) CCR1GPR119FPR3GPR65GPR35
SCHEMBL13954897 0.83 CCR1 (0.59) CCR1FPR3GPR65GPR35
SCHEMBL13404756 0.82 CCR1 (0.42) CCR1GPR119FPR3GPR65GPR35
SCHEMBL20333526 0.82 HDAC1 (0.53) CCR1GPR119KMT2AHPGD
SCHEMBL28347328 0.82 HDAC1 (0.53) CCR1GPR119KMT2AHPGD
SCHEMBL1704761 0.82 CCR1 (0.44) CCR1GPR119FPR3GPR65GPR35
SCHEMBL29269208 0.82 CCR1 (0.47) CCR1GPR119FPR3GPR65GPR35

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8853218-B2 Compounds GLAXO GROUP LIMITED (GB) 2014-10-07 US disclosed
US-8853218-B2 Compounds GLAXO GROUP LIMITED (GB) 2014-10-07 US 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-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-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
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 935/4885GPR119 24/4885KMT2A 1804/4885
US-20090192160-A1 COMPOUNDS GPR68, GPR88, GPBAR1 CCR1 549/4885GPR119 5/4885KMT2A 4295/4885

“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.