SCHEMBL1313786

SCHEMBL1313786

Cc1[nH]c(C=O)c(C)c1C(=O)NCCC1CCCN1C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACKR3 P25106 3/20 0.44
TSHR P16473 1/20 0.43
CHRM4 P08173 1/20 0.43
HTT P42858 1/20 0.41
PDGFRB P09619 3/20 0.40
FGFR1 P11362 3/20 0.40
KDR P35968 3/20 0.40
TLK2 Q86UE8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.38
TLR9 Q9NR96 1/20 0.38
TLR8 Q9NR97 1/20 0.38
TLR7 Q9NYK1 1/20 0.38
PIK3CD O00329 1/20 0.37
PIK3R1 P27986 1/20 0.37
PIK3CG P48736 1/20 0.37
FPR3 P25089 1/20 0.37
FPR2 P25090 1/20 0.37
EGLN1 Q9GZT9 1/20 0.37
POLR1A O95602 1/20 0.37
PDE3B Q13370 1/20 0.37

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
SCHEMBL1312796 0.92 ACKR3 (0.41) ACKR3TSHRCHRM4HTTPDGFRB
SCHEMBL1313273 0.88 CHRM4 (0.39) ACKR3TSHRCHRM4HTTPDGFRB
SCHEMBL1402268 0.82 TSHR (0.34) ACKR3TSHRCHRM4HTTPDGFRB
SCHEMBL1080486 0.80 PDGFRB (0.56) HTTPDGFRBFGFR1KDRTLK2
SCHEMBL1312420 0.78 DRD2 (0.54) TSHR
SCHEMBL12117543 0.76 PDGFRB (0.77) HTTPDGFRBFGFR1KDRTLK2
SCHEMBL1312318 0.74 DRD2 (0.49) TSHR
SCHEMBL14595071 0.74 L3MBTL1 (0.53) HTTPDGFRBFGFR1KDRTLK2
SCHEMBL6395379 0.74 ACKR3 (0.51) ACKR3CHRM4FPR3FPR2POLR1A
SCHEMBL6832974 0.72 KDR (0.53) TSHRHTTPDGFRBFGFR1KDR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2292613-B1 DIHYDROINDOLINONE DERIVATIVES SHANGHAI INST PHARM INDUSTRY (CN) 2015-09-30 EP disclosed
US-8829039-B2 Dihydroindolinone derivatives SHANGHAI INSTITUTE OF PHARMACEUTICAL INDUSTRY (CN) 2014-09-09 US disclosed
US-20110275671-A1 DIHYDROINDOLINONE DERIVATIVES Shanghai Institute of Pharmaceutical Indusrty (CN) 2011-11-10 US disclosed
EP-2292613-A1 DIHYDROINDOLINONE DERIVATIVES Shanghai Institute of Pharmaceutical Industry (CN) 2011-03-09 EP 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-20110275671-A1 DIHYDROINDOLINONE DERIVATIVES LCK, CDK5, ABL1 ACKR3 3384/4885TSHR 3739/4885CHRM4 4728/4885

“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.