SCHEMBL290026

SCHEMBL290026

O=C(OCc1ccccc1)c1cc(OCc2ccccc2)c(-c2ccc(F)cc2)c(OCc2ccccc2)c1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 4/20 0.52
SLC6A2 P23975 1/20 0.51
SLC6A3 Q01959 1/20 0.51
KMT2A Q03164 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
MAPT P10636 3/20 0.48
LMNA P02545 3/20 0.48
MGLL Q99685 1/20 0.47
NPC1 O15118 3/20 0.47
RAB9A P51151 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.46
MRGPRX4 Q96LA9 2/20 0.46
DHODH Q02127 1/20 0.46
NR4A2 P43354 1/20 0.44
MCL1 Q07820 1/20 0.43
ALDH1A1 P00352 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL16056330 0.89 MRGPRX4 (0.50) PTGER1LMNAMRGPRX4SMN1; SMN2
SCHEMBL288853 0.87 KMT2A (0.51) PTGER1SLC6A2SLC6A3KMT2ATDP1
SCHEMBL16616183 0.85 PTGER1 (0.43) PTGER1MAPTLMNANPC1RAB9A
SCHEMBL13076466 0.82 BRD4 (0.56) PTGER1KMT2AMAPTLMNANPC1
SCHEMBL11692826 0.81 KMT2A (0.69) SLC6A2SLC6A3KMT2ATDP1MAPT
SCHEMBL29230634 0.80 KMT2A (0.49) PTGER1SLC6A2SLC6A3KMT2ATDP1
SCHEMBL289359 0.80 KMT2A (0.47) PTGER1KMT2AMAPTLMNANPC1
SCHEMBL794412 0.79 KMT2A (0.62) SLC6A2SLC6A3KMT2ATDP1MAPT
SCHEMBL22015349 0.79 TDP1 (0.62) SLC6A2SLC6A3KMT2ATDP1MAPT
SCHEMBL663552 0.79 KMT2A (0.76) SLC6A2SLC6A3KMT2ATDP1MAPT

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-2427465-A1 SUBSTITUTED SPIROCYCLIC AMINES USEFUL AS ANTIDIABETIC COMPOUNDS Merck Sharp & Dohme Corp. (US) 2012-03-14 EP disclosed
US-20120041012-A1 SUBSTITUTED SPIROCYCLIC AMINES USEFUL AS ANTIDIABETIC COMPOUNDS MERCK SHARP & DOHME CORP. 2012-02-16 US disclosed
US-20120041012-A1 SUBSTITUTED SPIROCYCLIC AMINES USEFUL AS ANTIDIABETIC COMPOUNDS MERCK SHARP & DOHME CORP. 2012-02-16 US disclosed
US-20120041012-A1 SUBSTITUTED SPIROCYCLIC AMINES USEFUL AS ANTIDIABETIC COMPOUNDS MERCK SHARP & DOHME CORP. 2012-02-16 US disclosed
WO-2010129729-A1 SUBSTITUTED SPIROCYCLIC AMINES USEFUL AS ANTIDIABETIC COMPOUNDS MERCK SHARP & DOHME CORP. (US) 2010-11-11 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-20120041012-A1 SUBSTITUTED SPIROCYCLIC AMINES USEFUL AS ANTIDIABETIC COMPOUNDS SSTR5, SSTR2, GPR119 PTGER1 716/4885SLC6A2 146/4885SLC6A3 291/4885

“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.