SCHEMBL3074353

SCHEMBL3074353

CC(C)c1ccc(Cc2cccc3ccc[c]c23)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC5A2 P31639 5/20 0.34
SLC5A1 P13866 3/20 0.34
PNP P00491 1/20 0.34
IDO1 P14902 2/20 0.34
HTR1D P28221 1/20 0.34
HTR1B P28222 1/20 0.34
KCNN2 Q9H2S1 1/20 0.34
KCNN3 Q9UGI6 1/20 0.34
COPS5 Q92905 1/20 0.32
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
HTR2B P41595 1/20 0.32
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
SLC6A2 P23975 1/20 0.31
SLC6A4 P31645 1/20 0.31
SLC6A3 Q01959 1/20 0.31
KCNH2 Q12809 1/20 0.31
NLRP3 Q96P20 1/20 0.30
TYR P14679 1/20 0.30

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
SCHEMBL3087658 0.83 CYP1A2 (0.35) SLC5A2SLC5A1KCNN2KCNN3
SCHEMBL3089243 0.79 LTA4H (0.46) CYP2D6
SCHEMBL3097520 0.79 SLC6A4 (0.49) SLC5A2SLC5A1CYP3A4CYP2D6SLC6A2
SCHEMBL3084929 0.78 SLC5A2 (0.34) SLC5A2SLC5A1PNPIDO1HTR1D
SCHEMBL8637440 0.73 IDO1 (0.42) SLC5A2SLC5A1PNPIDO1HTR1D
SCHEMBL3091176 0.72 PNP (0.41) SLC5A2SLC5A1PNPIDO1HTR1D
SCHEMBL458549 0.71 GABRA1 (0.41) CYP2D6KCNH2
SCHEMBL27771990 0.71 HTR1D (0.35) SLC5A2SLC5A1PNPIDO1HTR1D
SCHEMBL3092049 0.71 SLC5A2 (0.33) SLC5A2SLC5A1PNPIDO1HTR1D
SCHEMBL3093428 0.70 SLC5A2 (0.35) SLC5A2SLC5A1PNPIDO1HTR1D

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 4 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
CN-101495494-A Fused ring spiroketal derivative and use thereof as therapeutic agent for diabetes CHUGAI PHARMACEUTICAL CO LTD (JP) 2009-07-29 CN 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 SLC5A2 19/4885SLC5A1 16/4885PNP 2725/4885

“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.