SCHEMBL3107553

SCHEMBL3107553

Cc1oc(-c2ccncc2)cc1C(Nc1ccc(C(=O)O)cc1)C1CCCCC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RCE1 Q9Y256 1/20 0.49
PIK3CD O00329 1/20 0.38
PIK3CA P42336 1/20 0.38
PIK3CB P42338 1/20 0.38
PIK3CG P48736 1/20 0.38
ALDH1A1 P00352 4/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
NPC1 O15118 2/20 0.36
GAA P10253 1/20 0.36
TP53 P04637 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
TEAD4 Q15561 1/20 0.35
MMP13 P45452 3/20 0.35
KDM4E B2RXH2 1/20 0.35
MAPK1 P28482 1/20 0.35
HSD17B10 Q99714 1/20 0.35
LTA4H P09960 1/20 0.35
PDE7A Q13946 1/20 0.35

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
SCHEMBL3094894 0.91 RCE1 (0.49) RCE1ALDH1A1MEN1KMT2ANPC1
SCHEMBL3101341 0.90 RCE1 (0.48) RCE1ALDH1A1MEN1KMT2ANPC1
SCHEMBL3095474 0.89 RCE1 (0.51) RCE1ALDH1A1MEN1KMT2ANPC1
SCHEMBL3095487 0.88 RCE1 (0.45) RCE1ALDH1A1MEN1KMT2ANPC1
SCHEMBL3113651 0.88 RCE1 (0.45) RCE1ALDH1A1MEN1KMT2ANPC1
SCHEMBL3106785 0.88 ALDH1A1 (0.47) RCE1ALDH1A1MEN1KMT2ANPC1
SCHEMBL3095367 0.88 RCE1 (0.43) RCE1MMP13LTA4HCYP3A4
SCHEMBL3109938 0.88 RCE1 (0.45) RCE1ALDH1A1MEN1KMT2ANPC1
SCHEMBL3102129 0.87 GCG (0.46) RCE1MMP13
SCHEMBL3109932 0.86 RCE1 (0.38) RCE1PIK3CDPIK3CAPIK3CBPIK3CG

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 3126/4885PIK3CD 4636/4885PIK3CA 4304/4885

“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.