SCHEMBL14426262

SCHEMBL14426262

CC(=O)Cn1c(=O)n2c3c(cc(-c4ccccc4)cc31)CCC2

nearest known ligand 0.74

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ CYP1A2 P05177 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ HTR1A P08908 2/20 0.36
▸ DRD2 P14416 2/20 0.36
▸ HTR2A P28223 2/20 0.36
▸ HTR7 P34969 2/20 0.36
▸ HTR6 P50406 2/20 0.36
▸ GRIN2B Q13224 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
SCHEMBL14426282 0.97 GRIN2B (0.37) GRIN2B
SCHEMBL5411953 0.91 APEX1 (0.44) KDM4ELMNACYP1A2HSD17B10HTR1A
SCHEMBL5416655 0.87 APEX1 (0.43) KDM4ELMNACYP1A2HSD17B10
SCHEMBL5412475 0.86 MAPT (0.48) GRIN2B
SCHEMBL5414934 0.83 GLA (0.53) KDM4E
SCHEMBL5419233 0.82 MEN1 (0.45) KDM4ELMNA
SCHEMBL5430232 0.79 HTT (0.44) LMNADRD2
SCHEMBL5413564 0.72 APEX1 (0.38) HTR1ADRD2HTR2AHTR7HTR6
SCHEMBL5425114 0.71 TSPO (0.47) KDM4E
SCHEMBL5419202 0.70 TSPO (0.40) —

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-20070191447-A1 Novel heterocyclic compound DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2007-08-16 — — 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-20070191447-A1 Novel heterocyclic compound OPRD1, GRIN3A, GRM3 KDM4E 2970/4885LMNA 3597/4885CYP1A2 256/4885

“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.

Send feedback