SCHEMBL3085317

SCHEMBL3085317

COc1ccc(CN2[CH]Cc3ccccc32)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 4/20 0.51
L3MBTL1 Q9Y468 1/20 0.49
SMPD1 P17405 2/20 0.48
GAA P10253 2/20 0.47
MEN1 O00255 1/20 0.47
APAF1 O14727 1/20 0.47
CASP3 P42574 1/20 0.47
KMT2A Q03164 1/20 0.47
SENP8 Q96LD8 1/20 0.47
SENP7 Q9BQF6 1/20 0.47
SENP6 Q9GZR1 1/20 0.47
RAB9A P51151 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
ALDH1A1 P00352 3/20 0.45
ALOX15 P16050 2/20 0.45
TSHR P16473 1/20 0.45
SIRT2 Q8IXJ6 1/20 0.45
SIRT1 Q96EB6 1/20 0.45
MAPT P10636 2/20 0.44
NPC1 O15118 1/20 0.44

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
SCHEMBL3098200 0.82 LMNA (0.47) SIGMAR1ALDH1A1TSHRDRD2DRD4
SCHEMBL3096254 0.82 NPC1 (0.46) MEN1KMT2ARAB9ASMN1; SMN2ALDH1A1
SCHEMBL3084210 0.78 ATM (0.44) SIGMAR1GAAMEN1KMT2ARAB9A
SCHEMBL3095186 0.78 DRD4 (0.44) MEN1KMT2ASMN1; SMN2ALDH1A1DRD2
SCHEMBL3085320 0.77 GAA (0.70) SIGMAR1L3MBTL1SMPD1GAAMEN1
SCHEMBL29483476 0.75 ALDH1A1 (0.60) SIGMAR1L3MBTL1GAAMEN1KMT2A
SCHEMBL28743846 0.75 ALDH1A1 (0.60) SIGMAR1L3MBTL1GAAMEN1KMT2A
SCHEMBL3097335 0.74 MEN1 (0.56) SIGMAR1L3MBTL1SMPD1GAAMEN1
SCHEMBL30100692 0.74 POLB (0.71) L3MBTL1SMPD1GAAMEN1APAF1
SCHEMBL30100689 0.74 POLB (0.71) L3MBTL1SMPD1GAAMEN1APAF1

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 SIGMAR1 1350/4885L3MBTL1 4346/4885SMPD1 3112/4885

“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.