SCHEMBL3093301

SCHEMBL3093301

Cc1ccc(Cc2cn(C)c3ccccc23)cc1

nearest known ligand 0.71

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 1/20 0.71
TP53 P04637 1/20 0.58
PCSK9 Q8NBP7 3/20 0.55
HTR2A P28223 1/20 0.54
AHR P35869 2/20 0.50
LMNA P02545 1/20 0.50
HTT P42858 1/20 0.50
HTR6 P50406 2/20 0.49
ALDH1A1 P00352 1/20 0.49
IMPDH2 P12268 1/20 0.49
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
CA2 P00918 1/20 0.47
KEAP1 Q14145 1/20 0.47
NFE2L2 Q16236 1/20 0.47

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
SCHEMBL12850750 0.88 GPR84 (0.79) GPR84HTR2AAHRLMNAHTR6
SCHEMBL3083899 0.87 GPR84 (0.71) GPR84TP53HTR2AAHRLMNA
SCHEMBL31744727 0.85 GPR84 (0.69) GPR84TP53HTR2AAHRLMNA
SCHEMBL5881100 0.84 GPR84 (1.00) GPR84PCSK9HTR2AAHRLMNA
SCHEMBL3090757 0.83 GPR84 (0.65) GPR84TP53HTR2AAHRLMNA
SCHEMBL3091118 0.83 GPR84 (0.65) GPR84HTR2AAHRHTR6KMT2A
SCHEMBL3073688 0.83 GPR84 (0.65) GPR84PCSK9HTR2AAHRLMNA
SCHEMBL22768845 0.80 GPR84 (0.61) GPR84TP53HTR2AAHRLMNA
SCHEMBL18088437 0.78 TP53 (0.66) GPR84TP53HTR2ALMNAHTT
SCHEMBL29202611 0.77 GPR84 (0.66) GPR84TP53PCSK9HTR2AAHR

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
US-8207134-B2 Fused ring spiroketal derivative and use thereof as anti-diabetic drug CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2012-06-26 US disclosed
US-20100234609-A1 FUSED RING SPIROKETAL DERIVATIVE AND USE THEREOF AS ANTI-DIABETIC DRUG CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2010-09-16 US disclosed
EP-2048152-A1 FUSED RING SPIROKETAL DERIVATIVE AND USE THEREOF AS DRUG FOR TREATING DIABETES CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2009-04-15 EP 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-20100234609-A1 FUSED RING SPIROKETAL DERIVATIVE AND USE THEREOF AS ANTI-DIABETIC DRUG REN, WNK1, GCKR GPR84 2377/4885TP53 4276/4885PCSK9 620/4885

“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.