SCHEMBL3093503

SCHEMBL3093503

CCc1ccc(Cn2c(C)[c]c3ccccc32)cc1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
P2RX4 Q99571 1/20 0.40
RAB9A P51151 2/20 0.38
GALR3 O60755 2/20 0.38
NR2F2 P24468 2/20 0.38
NOD2 Q9HC29 1/20 0.37
NOD1 Q9Y239 1/20 0.37
TNF P01375 1/20 0.37
ALDH1A1 P00352 1/20 0.37
CYP19A1 P11511 1/20 0.37
TP53 P04637 3/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
GAA P10253 1/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
LMNA P02545 2/20 0.36
MGLL Q99685 1/20 0.35
MAPK1 P28482 1/20 0.35
MAPT P10636 1/20 0.35
HTT P42858 1/20 0.35

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
SCHEMBL3073048 0.89 P2RX4 (0.51) P2RX4ALDH1A1TP53MEN1KMT2A
SCHEMBL10399302 0.88 CYP19A1 (0.48) P2RX4TNFALDH1A1CYP19A1TP53
SCHEMBL27889039 0.87 GALR3 (0.51) P2RX4RAB9AGALR3NR2F2NOD2
SCHEMBL3078224 0.84 RAB9A (0.38) P2RX4RAB9AGALR3NR2F2NOD2
SCHEMBL3088631 0.83 P2RX4 (0.54) P2RX4RAB9AALDH1A1TP53MEN1
SCHEMBL3084394 0.83 DRD2 (0.43) P2RX4RAB9AGALR3NR2F2TNF
SCHEMBL3083770 0.83 TP53 (0.45) P2RX4RAB9AGALR3NR2F2TP53
SCHEMBL323754 0.79 ALDH1A1 (0.41) RAB9AALDH1A1TP53MEN1KMT2A
SCHEMBL8356648 0.75 CYP19A1 (0.46) P2RX4TNFALDH1A1CYP19A1TP53
SCHEMBL3088034 0.74 P2RX4 (0.50) P2RX4RAB9AGALR3NR2F2ALDH1A1

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 P2RX4 1442/4885RAB9A 1447/4885GALR3 2588/4885

“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.