SCHEMBL1015121

SCHEMBL1015121

O=C(O)c1ccc(OCC2CC2)c(Cl)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMO O15229 2/20 0.58
MRGPRX4 Q96LA9 6/20 0.50
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
HPGD P15428 1/20 0.49
DPP4 P27487 1/20 0.48
PREP P48147 1/20 0.48
FAP Q12884 1/20 0.48
DPP8 Q6V1X1 1/20 0.48
DPP9 Q86TI2 1/20 0.48
DPP7 Q9UHL4 1/20 0.48
NR1H4 Q96RI1 1/20 0.48
TSHR P16473 1/20 0.47
MAP4K4 O95819 1/20 0.47
NFKB1 P19838 1/20 0.47
NFKB2 Q00653 1/20 0.47
RELA Q04206 1/20 0.47
MEN1 O00255 1/20 0.47
LMNA P02545 1/20 0.47

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
SCHEMBL663986 0.94 MAP4K4 (0.54) KMOMRGPRX4NPC1RAB9ASMN1; SMN2
SCHEMBL10148399 0.88 KDM5A (0.54) KMOMRGPRX4DPP4PREPFAP
SCHEMBL1013024 0.88 KMO (0.52) KMOHPGDPDE4APDE4BPDE4C
SCHEMBL28034346 0.86 PDE4B (0.53) NR1H4TSHRMAP4K4POLBPDE4A
SCHEMBL3170758 0.85 KMO (0.50) KMOPDE4APDE4BPDE4CPDE4D
SCHEMBL1391337 0.84 KMO (0.49) KMOMRGPRX4NPC1RAB9ASMN1; SMN2
SCHEMBL31325672 0.82 NR1H4 (0.48) KMONR1H4MAP4K4KDM2BKDM4C
SCHEMBL15968784 0.82 LMNA (0.55) MRGPRX4RAB9ANR1H4MAP4K4LMNA
SCHEMBL15968144 0.82 DPP4 (0.48) KMODPP4NR1H4MAP4K4KDM2B
SCHEMBL10148378 0.82 NR1H4 (0.48) MRGPRX4NR1H4MAP4K4KDM2BKDM4C

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-9133129-B2 Bicyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2015-09-15 US disclosed
EP-2772485-A1 BICYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2014-09-03 EP disclosed
US-20140243310-A1 BICYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-08-28 US disclosed
US-8329730-B2 Compounds GLAXO GROUP LIMITED (GB) 2012-12-11 US disclosed
EP-2271643-B1 OXADIAZOLES AS S1P1 RECEPTOR AGONISTS GLAXO GROUP LTD (GB) 2012-08-15 EP disclosed
US-20110039889-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2011-02-17 US disclosed
EP-2271643-A1 COMPOUNDS Glaxo Group Limited (GB) 2011-01-12 EP disclosed
WO-2009133136-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2009-11-05 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 (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-20110039889-A1 COMPOUNDS CYP11B2, CYP11B1, GLS2 KMO 1640/4885MRGPRX4 1004/4885NPC1 70/4885
US-20140243310-A1 BICYCLIC COMPOUND BICRA, NR3C2, CYP11B2 KMO 2615/4885MRGPRX4 1167/4885NPC1 558/4885

“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.