SCHEMBL18135111

SCHEMBL18135111

CN(C)C(=O)c1cc(N2CCCCC2)ccn1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HRH4 Q9H3N8 3/20 0.48
▸ USP30 Q70CQ3 1/20 0.43
▸ NPC1 O15118 3/20 0.43
▸ MAPT P10636 3/20 0.43
▸ RAB9A P51151 3/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ PKM P14618 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ KLF5 Q13887 1/20 0.43
▸ LNPEP Q9UIQ6 1/20 0.42
▸ CDK8 P49336 2/20 0.41
▸ TP53BP1 Q12888 1/20 0.40
▸ CNR2 P34972 1/20 0.40
▸ CHKA P35790 1/20 0.40
▸ CSNK1A1 P48729 1/20 0.39
▸ CSNK1D P48730 1/20 0.39
▸ CSNK1E P49674 1/20 0.39
▸ GSK3A P49840 1/20 0.39
▸ HASPIN Q8TF76 1/20 0.39
▸ RIOK2 Q9BVS4 1/20 0.39

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
SCHEMBL14882832 0.90 HRH4 (0.47) HRH4USP30NPC1MAPTRAB9A
SCHEMBL18135117 0.87 HRH4 (0.50) HRH4TP53BP1MEN1GAAKMT2A
SCHEMBL18135115 0.86 CTSA (0.48) NPC1MAPTRAB9ASMN1; SMN2TP53BP1
SCHEMBL10098376 0.81 KDM4E (0.50) HRH4USP30NPC1MAPTRAB9A
Hydrochloric Acid SCHEMBL14876289 0.80 KDM4E (0.49) HRH4USP30NPC1MAPTRAB9A
SCHEMBL2533014 0.80 ALDH1A1 (0.51) HRH4USP30NPC1MAPTRAB9A
SCHEMBL30489430 0.80 USP30 (0.47) HRH4USP30NPC1MAPTRAB9A
SCHEMBL18135099 0.79 NFKB1 (0.51) HRH4USP30NPC1MAPTRAB9A
SCHEMBL14882630 0.78 USP30 (0.52) HRH4USP30NPC1MAPTRAB9A
SCHEMBL14882840 0.77 HRH4 (0.49) HRH4TP53BP1MEN1GAAKMT2A

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-20160297763-A1 Heteroaryl hydroxamic acid derivatives and their use in the treatment, amelioration or prevention of a viral disease F. HOFFMANN-LA ROCHE LTD (CH) 2016-10-13 — — 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-20160297763-A1 Heteroaryl hydroxamic acid derivatives and their use in the treatment, amelioration or prevention of a viral disease ALAD, CYP27A1, FAH HRH4 1215/4885USP30 2148/4885NPC1 731/4885

“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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