SCHEMBL5419481

SCHEMBL5419481

CCC(=O)NC1CCC(Oc2ccc3[nH]ncc3c2CC)CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.38
MAP4K1 Q92918 3/20 0.38
FASN P49327 1/20 0.38
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
KMT2A Q03164 1/20 0.37
HSD17B10 Q99714 1/20 0.37
DRD2 P14416 2/20 0.37
HTR2A P28223 2/20 0.37
DRD3 P35462 2/20 0.37
HTR1A P08908 1/20 0.37
LDHA P00338 1/20 0.36
AXL P30530 1/20 0.36
TYRO3 Q06418 1/20 0.36
MERTK Q12866 1/20 0.36
TLR7 Q9NYK1 2/20 0.35
EGFR P00533 1/20 0.35
TLR9 Q9NR96 1/20 0.35
SMYD3 Q9H7B4 2/20 0.35
TRPV1 Q8NER1 1/20 0.35

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
SCHEMBL5419485 1.00 PIK3CD (0.38) PIK3CDMAP4K1FASNKDM4EALDH1A1
SCHEMBL5419667 0.90 CYP4F2 (0.38) PIK3CDMAP4K1AXLTYRO3MERTK
SCHEMBL5408627 0.90 CYP4F2 (0.38) PIK3CDMAP4K1AXLTYRO3MERTK
SCHEMBL5408626 0.90 CYP4F2 (0.38) PIK3CDMAP4K1AXLTYRO3MERTK
SCHEMBL5411071 0.88 TRPV1 (0.39) MAP4K1FASNEGFRTRPV1
SCHEMBL5411079 0.88 TRPV1 (0.39) MAP4K1FASNEGFRTRPV1
SCHEMBL5411075 0.88 TRPV1 (0.39) MAP4K1FASNEGFRTRPV1
SCHEMBL5415366 0.86 MAP4K1 (0.39) PIK3CDMAP4K1FASNKDM4EALDH1A1
SCHEMBL5415357 0.86 MAP4K1 (0.39) PIK3CDMAP4K1FASNKDM4EALDH1A1
SCHEMBL5408242 0.85 TRPV1 (0.38) PIK3CDMAP4K1FASNKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7199147-B2 Rho kinase inhibitors DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2007-04-03 US disclosed
US-20040138286-A1 Rho kinase inhibitors DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2004-07-15 US disclosed
EP-1403255-A1 Rho KINASE INHIBITORS SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 2004-03-31 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-20040138286-A1 Rho kinase inhibitors ROCK1, ROCK2, ARHGDIA PIK3CD 439/4885MAP4K1 109/4885FASN 2412/4885

“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.