SCHEMBL3093500

SCHEMBL3093500

CCc1ccc(CN2[C](C)Cc3ccccc32)cc1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NOD1 Q9Y239 1/20 0.54
HDAC6 Q9UBN7 3/20 0.48
HDAC3 O15379 2/20 0.48
HDAC1 Q13547 2/20 0.48
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
KDM4E B2RXH2 1/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
DRD2 P14416 4/20 0.43
DRD4 P21917 4/20 0.43
POLB P06746 1/20 0.43
MGLL Q99685 1/20 0.42
HTR1A P08908 1/20 0.40
TP53 P04637 3/20 0.39
LMNA P02545 2/20 0.39
MAPT P10636 3/20 0.38
NPSR1 Q6W5P4 1/20 0.38
TSHR P16473 1/20 0.38

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
SCHEMBL3073047 0.89 NOD1 (0.55) NOD1HDAC6HDAC3HDAC1MEN1
SCHEMBL3078219 0.85 NOD1 (0.55) NOD1HDAC6HDAC3HDAC1MEN1
SCHEMBL3083768 0.83 NOD1 (0.54) NOD1HDAC6HDAC3HDAC1MEN1
SCHEMBL3088630 0.83 MEN1 (0.54) NOD1MEN1KMT2AKDM4ENPC1
SCHEMBL3084393 0.83 NOD1 (0.50) NOD1HDAC6HDAC3HDAC1MEN1
SCHEMBL11143169 0.79 NOD1 (0.42) NOD1HDAC6HDAC3HDAC1MEN1
SCHEMBL29116672 0.78 LMNA (0.57) NOD1HDAC6HDAC3HDAC1MEN1
SCHEMBL29116691 0.76 NOD1 (0.73) NOD1HDAC6HDAC3HDAC1MEN1
SCHEMBL3088030 0.75 NOD1 (0.55) NOD1HDAC6HDAC3HDAC1MEN1
SCHEMBL29637973 0.73 POLB (0.61) NOD1HDAC6HDAC3HDAC1MEN1

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 NOD1 1910/4885HDAC6 1288/4885HDAC3 252/4885

“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.