SCHEMBL3104306

SCHEMBL3104306

COc1cccc(-c2cc(C(Nc3ccc(C(=O)O)cc3)C3CCCCC3)c(C)o2)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RCE1 Q9Y256 1/20 0.47
SCN9A Q15858 1/20 0.39
APLNR P35414 6/20 0.37
IDH1 O75874 1/20 0.37
MAPT P10636 2/20 0.36
NR4A2 P43354 1/20 0.36
DHODH Q02127 1/20 0.36
LDHA P00338 1/20 0.35
LDHB P07195 1/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPK1 P28482 1/20 0.35
KMT2A Q03164 1/20 0.35
RORC P51449 2/20 0.35
TEAD4 Q15561 1/20 0.34
MMP13 P45452 1/20 0.34
CNR1 P21554 1/20 0.33
TP53 P04637 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NPC1 O15118 1/20 0.32

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
SCHEMBL3107773 0.88 GCG (0.42) RCE1
SCHEMBL3101146 0.88 RCE1 (0.36) RCE1SCN9AAPLNRIDH1MEN1
SCHEMBL3100066 0.84 RCE1 (0.54) RCE1LDHALDHBMEN1ALDH1A1
SCHEMBL3107472 0.83 RCE1 (0.45) RCE1MAPTMEN1ALDH1A1KMT2A
SCHEMBL3106851 0.83 RCE1 (0.45) RCE1MAPTMEN1ALDH1A1KMT2A
SCHEMBL3094894 0.81 RCE1 (0.49) RCE1MAPTLDHALDHBMEN1
SCHEMBL3101341 0.80 RCE1 (0.48) RCE1MAPTMEN1ALDH1A1MAPK1
SCHEMBL3111558 0.79 RCE1 (0.43) RCE1MAPTMEN1ALDH1A1MAPK1
SCHEMBL3107553 0.79 RCE1 (0.49) RCE1MAPTMEN1ALDH1A1MAPK1
SCHEMBL3109938 0.79 RCE1 (0.45) RCE1LDHALDHBMEN1ALDH1A1

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 RCE1 3126/4885SCN9A 3167/4885APLNR 1857/4885

“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.