SCHEMBL9104327

SCHEMBL9104327

O=C(O)C(CC1CCCC1)N1C(=O)Cc2ccc(F)cc21

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 7/20 0.38
CRHR1 P34998 1/20 0.37
CRHR2 Q13324 1/20 0.37
GCK P35557 2/20 0.36
NAMPT P43490 2/20 0.36
DPP9 Q86TI2 2/20 0.36
DPP4 P27487 1/20 0.36
DPP8 Q6V1X1 1/20 0.36
CTSS P25774 1/20 0.35
CHRM2 P08172 1/20 0.34
CHRM3 P20309 1/20 0.34
MAPK1 P28482 1/20 0.34
PER2 O15055 1/20 0.34
CRY2 Q49AN0 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34

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
SCHEMBL9106400 0.86 PDE5A (0.38) GCKNAMPTCHRM2CHRM3NPC1
SCHEMBL9108554 0.86 NAMPT (0.37) NAMPTNPC1RAB9A
SCHEMBL9104376 0.86 GRN (0.39) CRHR1GCKNAMPT
SCHEMBL9106741 0.84 OPRM1 (0.44)
SCHEMBL9105977 0.83 HTR2A (0.36) RAB9A
SCHEMBL9105910 0.80 GCK (0.51) GCKNPC1
SCHEMBL9106742 0.80 GCK (0.53) GCKCHRM2CHRM3
SCHEMBL9108699 0.80 GCK (0.52) GCK
SCHEMBL9908121 0.80 GCK (0.52) GCK
SCHEMBL9105332 0.80 GCK (0.61) GCK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120142705-A1 ISATIN AND OXINDOLE COMPOUNDS KESTER ROBERT FRANCIS (US) 2012-06-07 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 (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-20120142705-A1 ISATIN AND OXINDOLE COMPOUNDS GPR119, INSR, OAT CCR5 3395/4885CRHR1 2258/4885CRHR2 1200/4885

“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.