SCHEMBL21784435

SCHEMBL21784435

CCCCC(C)(C)c1cc(C)n(C)n1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 9/20 0.37
CNR1 P21554 8/20 0.37
ADORA2A P29274 1/20 0.35
ADORA2B P29275 1/20 0.35
KDM4E B2RXH2 1/20 0.34
GRN P28799 1/20 0.34
SORT1 Q99523 1/20 0.34
LMNA P02545 2/20 0.32
ESR1 P03372 2/20 0.32
BCHE P06276 1/20 0.32
SIRT1 Q96EB6 1/20 0.31
ALDH1A1 P00352 1/20 0.31
ESR2 Q92731 1/20 0.31
BAZ2B Q9UIF8 1/20 0.31

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
SCHEMBL18415022 0.93 CNR2 (0.41) CNR2CNR1
SCHEMBL21784433 0.85 CNR2 (0.34) CNR2CNR1
SCHEMBL21719697 0.83 CNR2 (0.35) CNR2CNR1BCHE
SCHEMBL18415108 0.83 CNR2 (0.35) CNR2CNR1BCHE
SCHEMBL18415064 0.83 BCHE (0.30) CNR2CNR1BCHESIRT1
SCHEMBL21784458 0.82 CNR2 (0.32) CNR2CNR1
SCHEMBL21784450 0.82 BCHE (0.35) ADORA2AADORA2BKDM4EGRNSORT1
SCHEMBL21767220 0.74 BCHE (0.35) KDM4EGRNSORT1LMNABCHE
SCHEMBL422069 0.73 KDM4E (0.52) CNR2KDM4EGRNSORT1LMNA
SCHEMBL22222742 0.70 CYP19A1 (0.41) CNR2CNR1ESR1ESR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11021475-B2 Amide-substituted heterocyclic compounds useful as modulators of IL-12, IL-23 and/or IFN alpha responses BRISTOL-MYERS SQUIBB COMPANY (US) 2021-06-01 US disclosed
US-20200071315-A1 AMIDE-SUBSTITUTED HETEROCYCLIC COMPOUNDS USEFUL AS MODULATORS OF IL-12, IL-23 AND/OR IFN ALPHA RESPONSES BRISTOL-MYERS SQUIBB COMPANY 2020-03-05 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 (2 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-11021475-B2 Amide-substituted heterocyclic compounds useful as modulators of IL-12, IL-23 and/or IFN alpha responses IFNG, IFNAR1, TYK2 CNR2 1173/4885CNR1 1937/4885ADORA2A 3061/4885
US-20200071315-A1 AMIDE-SUBSTITUTED HETEROCYCLIC COMPOUNDS USEFUL AS MODULATORS OF IL-12, IL-23 AND/OR IFN ALPHA RESPONSES IFNG, IFNAR1, TYK2 CNR2 1173/4885CNR1 1937/4885ADORA2A 3061/4885

“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.