SCHEMBL6691776

SCHEMBL6691776

O=C(O)CCc1c[nH]c2c1CCCCC2

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.41
HPGD P15428 2/20 0.39
GPR17 Q13304 1/20 0.39
CYP2C19 P33261 1/20 0.39
RXRG P48443 7/20 0.37
RXRA P19793 6/20 0.37
RXRB P28702 6/20 0.37
TSHR P16473 1/20 0.36
PDGFRB P09619 1/20 0.36
FGFR1 P11362 1/20 0.36
SRC P12931 1/20 0.36
KDR P35968 1/20 0.36
KMT2A Q03164 2/20 0.35
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
CASP6 P55212 1/20 0.35
PARP1 P09874 1/20 0.34
HCAR2 Q8TDS4 1/20 0.33

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
SCHEMBL6299779 0.98 NPSR1 (0.42) NPSR1HPGDGPR17CYP2C19RXRG
SCHEMBL6695442 0.78 GPR17 (0.40) NPSR1HPGDGPR17CYP2C19TSHR
SCHEMBL3797505 0.75 GPR17 (0.40) NPSR1HPGDGPR17CYP2C19TSHR
SCHEMBL5405308 0.75 FKBP1A (0.47) NPSR1HPGDTSHRKMT2AKDM4E
SCHEMBL1369026 0.74 HTR1D (0.43) NPSR1PARP1
SCHEMBL20842318 0.72 KMT2A (0.48) NPSR1HPGDCYP2C19TSHRKMT2A
SCHEMBL6697504 0.70 SLC6A4 (0.44) SRCPARP1
SCHEMBL7880947 0.69 GPR17 (0.38) NPSR1HPGDGPR17CYP2C19PDGFRB
SCHEMBL22289913 0.68 GFER (0.46) HPGDTSHRKMT2AKDM4EMEN1
SCHEMBL6407362 0.68 SLC6A4 (0.45) SRCPARP1

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-20040186160-A1 Hexahydro-cyclohepta-pyrrole oxindole as potent kinase inhibitors SUGEN, INC. 2004-09-23 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-20040186160-A1 Hexahydro-cyclohepta-pyrrole oxindole as potent kinase inhibitors MAP3K15, MAP3K20, MAP3K19 NPSR1 2687/4885HPGD 1104/4885GPR17 1157/4885

“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.