SCHEMBL3080402

SCHEMBL3080402

CSc1ccc(Cc2cc[c]c3ccccc23)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 6/20 0.49
SLC6A2 P23975 3/20 0.49
SLC6A3 Q01959 3/20 0.49
TBXA2R P21731 1/20 0.41
PTGER3 P43115 1/20 0.41
PTGER2 P43116 1/20 0.41
PTGDR Q13258 1/20 0.41
VKORC1 Q9BQB6 1/20 0.39
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
ATM Q13315 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
SCHEMBL3072293 0.90 SLC6A4 (0.48) SLC6A4SLC6A2SLC6A3TBXA2RPTGER3
SCHEMBL3091779 0.83 P2RX4 (0.37) MEN1KMT2ASMN1; SMN2ALDH1A1MAPT
SCHEMBL3086761 0.83 TP53 (0.38) KDM4ECYP1A2SLC5A1SLC5A2NPC1
SCHEMBL27771988 0.81 LOXL2 (0.39)
SCHEMBL3087817 0.79 LTA4H (0.50) VKORC1SMN1; SMN2ALDH1A1MAPTNPC1
SCHEMBL3090873 0.79 SLC5A2 (0.34) ALDH1A1SLC5A1SLC5A2NPC1RAB9A
SCHEMBL27945252 0.78 SLC6A2 (0.58) SLC6A4SLC6A2SLC6A3TBXA2RPTGER3
SCHEMBL3087655 0.72 TLR8 (0.33) CYP3A4CYP2C19SLC5A1SLC5A2TP53
SCHEMBL3092710 0.72 KCNH2 (0.34) KMT2ASMN1; SMN2CYP1A2CYP3A4CYP2C9
SCHEMBL27771993 0.71 TLR8 (0.37)

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 SLC6A4 2602/4885SLC6A2 3399/4885SLC6A3 2000/4885

“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.