SCHEMBL3078136

SCHEMBL3078136

CC(C)c1ccc(CC2=N[N]c3ccccc32)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.39
MAPT P10636 3/20 0.39
NPSR1 Q6W5P4 1/20 0.39
HTR1D P28221 1/20 0.38
HTR1B P28222 1/20 0.38
COPS5 Q92905 1/20 0.35
IDO1 P14902 2/20 0.35
L3MBTL1 Q9Y468 3/20 0.35
ALDH1A1 P00352 1/20 0.35
NPC1 O15118 4/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
PNP P00491 1/20 0.33
PAX8 Q06710 1/20 0.32
NOD2 Q9HC29 1/20 0.32
USP2 O75604 1/20 0.32
LMNA P02545 1/20 0.32
DHODH Q02127 1/20 0.31
CNR2 P34972 1/20 0.31
TP53 P04637 1/20 0.31

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
SCHEMBL3082719 0.82 MAPT (0.42) RAB9AMAPTL3MBTL1ALDH1A1NPC1
SCHEMBL3094629 0.82 C3AR1 (0.37) RAB9AMAPTNPSR1IDO1ALDH1A1
SCHEMBL5601100 0.81 CALM1 (0.42) RAB9AL3MBTL1ALDH1A1NPC1HPGD
SCHEMBL3078130 0.73 HTR1D (0.39) RAB9AMAPTNPSR1HTR1DHTR1B
SCHEMBL5603177 0.70 SMN1; SMN2 (0.35) RAB9AMAPTL3MBTL1ALDH1A1NPC1
SCHEMBL4841473 0.69 CALM1 (0.57) RAB9AHTR1DHTR1BIDO1L3MBTL1
SCHEMBL28811222 0.69 KDM4E (0.47) RAB9AMAPTNPSR1HTR1DHTR1B
SCHEMBL3956146 0.69 IDO1 (0.56) RAB9AHTR1DHTR1BCOPS5IDO1
SCHEMBL1815962 0.67 KDM4E (0.33) ALDH1A1TP53KDM4EHPGD
SCHEMBL5603759 0.66 PTPN1 (0.31)

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 RAB9A 1447/4885MAPT 4616/4885NPSR1 1425/4885

“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.