SCHEMBL3140130

SCHEMBL3140130

COc1[c]ccc(N2CCCCC2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.44
LMNA P02545 2/20 0.42
L3MBTL1 Q9Y468 4/20 0.40
MEN1 O00255 3/20 0.40
MAPT P10636 3/20 0.40
ALOX15 P16050 3/20 0.40
KMT2A Q03164 3/20 0.40
S100B P04271 2/20 0.40
CHRNB2 P17787 2/20 0.40
CHRNA4 P43681 2/20 0.40
TERT O14746 2/20 0.40
GAA P10253 2/20 0.40
HTT P42858 2/20 0.40
PKM P14618 1/20 0.40
MAPK1 P28482 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
PABPC1 P11940 1/20 0.38
CHKA P35790 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
SCHEMBL3143426 0.98 ALDH1A1 (0.45) ALDH1A1LMNAL3MBTL1MEN1MAPT
SCHEMBL29249307 0.96 ALDH1A1 (0.44) ALDH1A1LMNAL3MBTL1MEN1MAPT
SCHEMBL4165953 0.86 ADRA2C (0.45) ALDH1A1MEN1MAPTKMT2AGAA
SCHEMBL2388341 0.85 ADRB1 (0.56) CHRNB2CHRNA4HTTADRB1TP53
SCHEMBL3140169 0.85 TGFBR1 (0.43) ALDH1A1LMNAL3MBTL1MEN1MAPT
SCHEMBL12466365 0.84 L3MBTL3 (0.56) L3MBTL1
SCHEMBL16993793 0.82 CHRNA7 (0.47) ALDH1A1LMNAMAPTGAAKDM4E
SCHEMBL12466108 0.81 SUV39H2 (0.41)
SCHEMBL3139272 0.80 ACVR1B (0.46) ALDH1A1LMNAMAPTGAAMAPK1
SCHEMBL12466624 0.79 DRD2 (0.45) MEN1KMT2AHSD17B10TP53

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100004221-A1 THIAZEPINE DERIVATIVE DAIICHI SANKYO COMPANY, LIMITED (JP) 2010-01-07 US disclosed
EP-2119719-A1 THIAZEPINE DERIVATIVE Daiichi Sankyo Company, Limited (JP) 2009-11-18 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-20100004221-A1 THIAZEPINE DERIVATIVE HSD11B1, HSD17B1, HSD3B1 ALDH1A1 28/4885LMNA 3489/4885L3MBTL1 1843/4885

“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.