SCHEMBL3084394

SCHEMBL3084394

CSc1ccc(Cn2c(C)[c]c3ccccc32)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.43
HCRTR2 O43614 1/20 0.41
ATM Q13315 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
P2RX4 Q99571 1/20 0.37
MEN1 O00255 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
KMT2A Q03164 1/20 0.36
XDH P47989 1/20 0.36
CSF1R P07333 1/20 0.35
RAB9A P51151 2/20 0.35
GALR3 O60755 2/20 0.35
NR2F2 P24468 2/20 0.35
NPC1 O15118 1/20 0.35
LMNA P02545 1/20 0.35
TSHR P16473 1/20 0.35
MAPK1 P28482 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
SCHEMBL3085744 0.85 DRD2 (0.46) DRD2HCRTR2ATMSMN1; SMN2MEN1
SCHEMBL3073048 0.84 P2RX4 (0.51) HCRTR2SMN1; SMN2P2RX4MEN1KMT2A
SCHEMBL10399302 0.84 CYP19A1 (0.48) SMN1; SMN2P2RX4MEN1KMT2ALMNA
SCHEMBL27889039 0.83 GALR3 (0.51) SMN1; SMN2P2RX4MEN1CYP1A2CYP3A4
SCHEMBL3093503 0.83 P2RX4 (0.40) SMN1; SMN2P2RX4MEN1KMT2ARAB9A
SCHEMBL3083770 0.79 TP53 (0.45) DRD2HCRTR2SMN1; SMN2P2RX4RAB9A
SCHEMBL3088631 0.79 P2RX4 (0.54) SMN1; SMN2P2RX4MEN1KMT2ARAB9A
SCHEMBL323754 0.72 ALDH1A1 (0.41) SMN1; SMN2MEN1CYP1A2CYP3A4CYP2C9
SCHEMBL3079980 0.72 XDH (0.42) DRD2HCRTR2ATMSMN1; SMN2MEN1
SCHEMBL3088034 0.71 P2RX4 (0.50) HCRTR2SMN1; SMN2P2RX4MEN1KMT2A

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 DRD2 1397/4885HCRTR2 3557/4885ATM 1496/4885

“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.