SCHEMBL20048038

SCHEMBL20048038

CCCCCC(C)(C)c1ncccn1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 10/20 0.39
CNR1 P21554 9/20 0.39
TLR8 Q9NR97 2/20 0.35
TLR7 Q9NYK1 1/20 0.35
LTB4R Q15722 2/20 0.35
LTB4R2 Q9NPC1 2/20 0.35
KDM4E B2RXH2 2/20 0.33
LMNA P02545 2/20 0.33
USP2 O75604 1/20 0.33
ALOX15 P16050 1/20 0.33
ALOX12 P18054 1/20 0.33
HTT P42858 1/20 0.33
NPC1 O15118 1/20 0.33
HSP90AA1 P07900 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 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
SCHEMBL22024369 0.98 CNR2 (0.41) CNR2CNR1TLR8LTB4RLTB4R2
SCHEMBL18793227 0.98 CNR2 (0.41) CNR2CNR1TLR8LTB4RLTB4R2
SCHEMBL18793226 0.94 CNR2 (0.34) CNR2CNR1TLR8TLR7LTB4R
SCHEMBL19261366 0.85 TLR8 (0.31) TLR8
SCHEMBL20047833 0.83 TLR8 (0.35) CNR2CNR1TLR8TLR7KDM4E
SCHEMBL24414188 0.82 TLR8 (0.36) CNR2CNR1TLR8TLR7KDM4E
SCHEMBL22024187 0.82 TLR8 (0.35) CNR2CNR1TLR8TLR7KDM4E
SCHEMBL18612488 0.82 TLR8 (0.36) CNR2CNR1TLR8TLR7KDM4E
SCHEMBL18557087 0.82 TLR8 (0.36) CNR2CNR1TLR8TLR7KDM4E
SCHEMBL18760500 0.82 TLR8 (0.36) CNR2CNR1TLR8TLR7KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11198693-B2 Functionalized heterocycles as antiviral agents ENANTA PHARMACEUTICALS, INC. (US) 2021-12-14 US disclosed
US-20200165249-A1 FUNCTIONALIZED HETEROCYCLES AS ANTIVIRAL AGENTS ENANTA PHARMACEUTICALS, INC. 2020-05-28 US disclosed
US-9957283-B1 Processes for making alkylated arylpiperazine and alkylated arylpiperidine compounds including novel intermediates JOHNSON MATTHEY PUBLIC LIMITED COMPANY (GB) 2018-05-01 US disclosed
US-20180099982-A1 PROCESSES FOR MAKING ALKYLATED ARYLPIPERAZINE AND ALKYLATED ARYLPIPERIDINE COMPOUNDS INCLUDING NOVEL INTERMEDIATES MACFARLAN SMITH LIMITED (GB) 2018-04-12 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 (3 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-20180099982-A1 PROCESSES FOR MAKING ALKYLATED ARYLPIPERAZINE AND ALKYLATED ARYLPIPERIDINE COMPOUNDS INCLUDING NOVEL INTERMEDIATES NR5A2, NR4A3, NR4A2 CNR2 146/4885CNR1 85/4885TLR8 2845/4885
US-11198693-B2 Functionalized heterocycles as antiviral agents HCCS, HAVCR2, HDGF CNR2 2902/4885CNR1 2040/4885TLR8 2663/4885
US-20200165249-A1 FUNCTIONALIZED HETEROCYCLES AS ANTIVIRAL AGENTS HCCS, HAVCR2, HDGF CNR2 2902/4885CNR1 2040/4885TLR8 2663/4885

“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.