SCHEMBL9957337

SCHEMBL9957337

O=C(O)NC1CCCC(Oc2ccccc2F)C1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.45
LPAR1 Q92633 1/20 0.42
LPAR5 Q9H1C0 1/20 0.42
PDE4D Q08499 3/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
KMT2A Q03164 1/20 0.40
GRM5 P41594 2/20 0.40
GRIN1 Q05586 2/20 0.39
GRIN2B Q13224 2/20 0.39
PDE4A P27815 1/20 0.39
PDE4B Q07343 1/20 0.39
PDE4C Q08493 1/20 0.39
HTR1A P08908 1/20 0.38
SLC6A2 P23975 1/20 0.38
SLC6A3 Q01959 1/20 0.38
HSD11B1 P28845 1/20 0.38
HSD11B2 P80365 1/20 0.38
EPHX2 P34913 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
SCHEMBL9957209 0.83 BTK (0.50) HPGDPDE4DKMT2APDE4BEPHX2
SCHEMBL25280257 0.82 ALDH1A1 (0.48) RAB9AEPHX2
SCHEMBL26933296 0.77 SLC6A2 (0.51) HPGDPDE4DGRIN1GRIN2BPDE4A
SCHEMBL26933301 0.77 SLC6A2 (0.51) HPGDPDE4DGRIN1GRIN2BPDE4A
SCHEMBL17123797 0.76 SLC6A2 (0.57) LPAR1LPAR5PDE4DHTR1ASLC6A2
SCHEMBL9279121 0.76 OXTR (0.43) HPGDPDE4DGRIN1GRIN2BPDE4A
SCHEMBL9279123 0.76 OXTR (0.43) HPGDPDE4DGRIN1GRIN2BPDE4A
SCHEMBL21221592 0.74 TRPV1 (0.47) NPC1RAB9AKMT2AGRM5
SCHEMBL26933439 0.74 GRIN1 (0.47) NPC1RAB9AGRIN1GRIN2B
SCHEMBL26933441 0.74 GRIN1 (0.47) NPC1RAB9AGRIN1GRIN2B

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
EP-2654748-B1 INDAZOLE DERIVATIVES USEFUL AS ERK INHIBITORS MERCK SHARP & DOHME (US) 2016-07-27 EP disclosed
US-9351965-B2 Indazole derivatives useful as ERK inhibitors MERCK SHARP & DOHME CORP. (US) 2016-05-31 US disclosed
EP-2654748-A1 INDAZOLE DERIVATIVES USEFUL AS ERK INHIBITORS Merck Sharp & Dohme Corp. (US) 2013-10-30 EP disclosed
US-20130261125-A1 INDAZOLE DERIVATIVES USEFUL AS ERK INHIBITORS MERCK SHARP & DOHME LLC 2013-10-03 US disclosed
WO-2012087772-A1 INDAZOLE DERIVATIVES USEFUL AS ERK INHIBITORS SCHERING CORPORATION (US) 2012-06-28 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-20130261125-A1 INDAZOLE DERIVATIVES USEFUL AS ERK INHIBITORS MAPK3, MAPK1, MAP3K1 HPGD 1082/4885LPAR1 1307/4885LPAR5 2003/4885

“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.