SCHEMBL3094591

SCHEMBL3094591

CCOC(=O)CCN(C)C(=O)c1ccc(NC(c2cc(-c3ccccc3)oc2CSC)C2CCCCC2)cc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.34
TSHR P16473 1/20 0.33
TDP1 Q9NUW8 2/20 0.33
MCHR1 Q99705 1/20 0.33
RCE1 Q9Y256 1/20 0.32
TEAD4 Q15561 1/20 0.32
SLC6A9 P48067 1/20 0.32
MEN1 O00255 3/20 0.31
KMT2A Q03164 3/20 0.31
ALDH1A1 P00352 2/20 0.31
MAPT P10636 2/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
DGAT1 O75907 1/20 0.31
PGR P06401 1/20 0.31
HPGD P15428 2/20 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
SCHEMBL3111553 0.92 TEAD4 (0.35) L3MBTL1TDP1MCHR1RCE1TEAD4
SCHEMBL3099349 0.91 MCHR1 (0.35) MCHR1MAPTGCGIDH1
SCHEMBL3095091 0.89 L3MBTL1 (0.35) L3MBTL1TSHRTDP1MCHR1RCE1
SCHEMBL3104278 0.89 L3MBTL1 (0.34) L3MBTL1TSHRTDP1MCHR1RCE1
SCHEMBL3110137 0.87 MEN1 (0.43) L3MBTL1TSHRMEN1KMT2AALDH1A1
SCHEMBL3110628 0.84 GCG (0.38) L3MBTL1TDP1MCHR1RCE1TEAD4
SCHEMBL3089995 0.84 MCHR1 (0.36) MCHR1MAPTGCGIDH1
SCHEMBL3099797 0.84 KMT2A (0.34) MEN1KMT2AALDH1A1MAPTHPGD
SCHEMBL3107473 0.83 MEN1 (0.37) L3MBTL1TDP1MCHR1MEN1KMT2A
SCHEMBL3110139 0.83 RCE1 (0.45) L3MBTL1TDP1RCE1TEAD4MEN1

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
EP-2210876-B1 HETEROCYCLIC COMPOUND AS GLUCAGON ANTAGONIST TAKEDA PHARMACEUTICAL (JP) 2015-05-20 EP disclosed
US-8309580-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-11-13 US disclosed
US-20100256156-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-10-07 US disclosed
EP-2210876-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2010-07-28 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-20100256156-A1 HETEROCYCLIC COMPOUND GLP1R, GPR119, GCGR L3MBTL1 1084/4885TSHR 60/4885TDP1 4801/4885

“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.