SCHEMBL5415112

SCHEMBL5415112

CC1(C)CC[C@@H](O)C[C@@H]1N1C(=O)c2ccccc2C1=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DDB1 Q16531 3/20 0.40
CRBN Q96SW2 3/20 0.40
TSHR P16473 2/20 0.40
ALDH1A1 P00352 1/20 0.40
CHRM2 P08172 1/20 0.40
OPRM1 P35372 1/20 0.40
IKZF3 Q9UKT9 1/20 0.40
CYP1A2 P05177 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.37
IDO1 P14902 3/20 0.35
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
ATM Q13315 1/20 0.35
CDK5 Q00535 1/20 0.33
DYRK1A Q13627 1/20 0.33
CDK5R1 Q15078 1/20 0.33
EBP Q15125 1/20 0.33
DHCR7 Q9UBM7 1/20 0.33
RAB9A P51151 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
SCHEMBL5405766 1.00 DDB1 (0.40) DDB1CRBNTSHRALDH1A1CHRM2
SCHEMBL5405777 1.00 DDB1 (0.40) DDB1CRBNTSHRALDH1A1CHRM2
SCHEMBL5405764 1.00 DDB1 (0.40) DDB1CRBNTSHRALDH1A1CHRM2
SCHEMBL5415105 1.00 DDB1 (0.40) DDB1CRBNTSHRALDH1A1CHRM2
SCHEMBL14657332 0.77 L3MBTL1 (0.43) DDB1CRBNTSHRALDH1A1CHRM2
SCHEMBL14658098 0.77 L3MBTL1 (0.43) DDB1CRBNTSHRALDH1A1CHRM2
SCHEMBL15977374 0.76 ALDH1A1 (0.46) DDB1CRBNTSHRALDH1A1CHRM2
SCHEMBL14658649 0.75 DDB1 (0.39) DDB1CRBNTSHRALDH1A1CHRM2
SCHEMBL9474522 0.75 HSD11B1 (0.34) OPRM1
SCHEMBL14658395 0.75 DDB1 (0.39) DDB1CRBNTSHRALDH1A1CHRM2

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 DDB1 3497/4885CRBN 4176/4885TSHR 2487/4885

“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.