SCHEMBL8229246

SCHEMBL8229246

CC(C)c1cc(C(F)(F)F)nc2ccccc12

nearest known ligand 0.66

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 2/20 0.66
▸ ADORA1 P30542 1/20 0.66
▸ TLR7 Q9NYK1 3/20 0.57
▸ ADRB2 P07550 1/20 0.47
▸ KMT2A Q03164 1/20 0.46
▸ MAPT P10636 2/20 0.43
▸ BACE1 P56817 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ CCNE2 O96020 3/20 0.41
▸ CCNE1 P24864 3/20 0.41
▸ CDK2 P24941 3/20 0.41
▸ CDK4 P11802 2/20 0.41
▸ CCND1 P24385 2/20 0.41
▸ IGF1R P08069 4/20 0.41
▸ NT5E P21589 1/20 0.41
▸ GAA P10253 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40

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
SCHEMBL8441818 0.87 ADORA2A (0.71) ADORA2AADORA1TLR7ADRB2KMT2A
SCHEMBL19150082 0.85 ADORA2A (0.68) ADORA2AADORA1TLR7ADRB2KMT2A
SCHEMBL19148213 0.82 ADORA2A (0.64) ADORA2AADORA1TLR7ADRB2KMT2A
SCHEMBL19149239 0.82 ADORA2A (0.64) ADORA2AADORA1TLR7ADRB2KMT2A
SCHEMBL7226777 0.80 ADORA2A (1.00) ADORA2AADORA1TLR7ADRB2KMT2A
SCHEMBL5550207 0.78 ADORA2A (0.59) ADORA2AADORA1TLR7ADRB2KMT2A
SCHEMBL31473229 0.77 CYP1A2 (0.58) ADORA2AADORA1TLR7ADRB2KMT2A
SCHEMBL423741 0.77 CYP1A2 (0.58) ADORA2AADORA1TLR7ADRB2KMT2A
SCHEMBL6632655 0.77 ADORA2A (0.57) ADORA2AADORA1TLR7KMT2AMAPT
SCHEMBL7998749 0.75 CYP1A2 (0.60) ADRB2KMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023237580-A1 TRICYCLIC SPIROLACTAM COMPOUNDS WITH ANTIMYCOBACTERIAL ACTIVITY INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (FR) 2023-12-14 — — WO disclosed
US-20070142369-A1 Combination of an H3 antagonist/inverse agonist and an appetite suppressant SCHERING CORPORATION 2007-06-21 — — US disclosed
US-7220735-B2 Benzimidazolone histamine H3 antagonists SCHERING CORPORATION (US) 2007-05-22 — — 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-20070142369-A1 Combination of an H3 antagonist/inverse agonist and an appetite suppressant CNR2, GPR119, GLP1R ADORA2A 244/4885ADORA1 160/4885TLR7 1098/4885

“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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