SCHEMBL3083899

SCHEMBL3083899

CCc1ccc(Cc2cn(C)c3ccccc23)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 1/20 0.71
PTPN5 P54829 1/20 0.59
HTR2A P28223 1/20 0.54
AHR P35869 2/20 0.50
SLC5A1 P13866 1/20 0.49
SLC5A2 P31639 1/20 0.49
LMNA P02545 1/20 0.49
GAA P10253 1/20 0.49
MAPT P10636 1/20 0.49
HTR6 P50406 2/20 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
TSHR P16473 1/20 0.46
ALOX12 P18054 1/20 0.46
TP53 P04637 1/20 0.45
ALDH1A1 P00352 1/20 0.45
IMPDH2 P12268 1/20 0.45

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
SCHEMBL3093301 0.87 GPR84 (0.71) GPR84HTR2AAHRLMNAHTR6
SCHEMBL31744727 0.85 GPR84 (0.69) GPR84PTPN5HTR2AAHRLMNA
SCHEMBL5881100 0.84 GPR84 (1.00) GPR84HTR2AAHRLMNACA2
SCHEMBL3073688 0.83 GPR84 (0.65) GPR84PTPN5HTR2AAHRLMNA
SCHEMBL3090757 0.83 GPR84 (0.65) GPR84PTPN5HTR2AAHRLMNA
SCHEMBL3091118 0.83 GPR84 (0.65) GPR84HTR2AAHRHTR6KMT2A
SCHEMBL256689 0.82 GPR84 (0.74) GPR84PTPN5HTR2AAHRLMNA
SCHEMBL22768845 0.80 GPR84 (0.61) GPR84PTPN5HTR2AAHRLMNA
SCHEMBL2879361 0.80 GPR84 (0.56) GPR84PTPN5LMNAGAAMAPT

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 2377/4885PTPN5 1289/4885HTR2A 4474/4885

“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.