SCHEMBL5914219

SCHEMBL5914219

CC(=O)N1CCC(CNc2nccc(N(C)c3ccnc(-c4ccccc4)n3)n2)CC1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ VCP P55072 1/20 0.48
▸ CYP11B2 P19099 1/20 0.47
▸ GRIN2B Q13224 13/20 0.47
▸ TP53 P04637 1/20 0.45
▸ ALOX15 P16050 1/20 0.45
▸ MAPK1 P28482 1/20 0.45
▸ CASP1 P29466 1/20 0.45
▸ CASP7 P55210 1/20 0.45
▸ HSD17B10 Q99714 1/20 0.45
▸ BTK Q06187 1/20 0.43
▸ USP30 Q70CQ3 2/20 0.43

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
SCHEMBL5913964 0.86 MAPK8 (0.44) TP53ALOX15MAPK1CASP1CASP7
SCHEMBL5914134 0.77 MAPK8 (0.44) USP30
SCHEMBL29501428 0.77 GRIN2B (0.50) VCPCYP11B2GRIN2B
SCHEMBL5914206 0.75 MAPK8 (0.41) —
SCHEMBL5914214 0.75 MAPK8 (0.41) —
SCHEMBL3646509 0.74 CYP11B2 (0.74) VCPCYP11B2GRIN2BBTKUSP30
SCHEMBL5266019 0.74 MAPK8 (0.54) —
SCHEMBL30443744 0.73 GRIN2B (0.50) CYP11B2GRIN2BBTK
SCHEMBL5914448 0.73 CIT (0.44) MAPK1
SCHEMBL5913876 0.73 TAAR1 (0.46) MAPK1

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-20060069110-A1 Substituted heterocyclic compounds and methods of use AMGEN INC. 2006-03-30 — — 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-20060069110-A1 Substituted heterocyclic compounds and methods of use MAPT, MYLK2, IAPP VCP 1567/4885CYP11B2 333/4885GRIN2B 1491/4885

“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.

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