SCHEMBL3101439

SCHEMBL3101439

Cc1noc(C)c1-c1cc(C(Nc2ccc(C(=O)O)cc2)C2CCCCC2)c(C)o1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RCE1 Q9Y256 1/20 0.46
P2RY14 Q15391 1/20 0.42
ALDH1A1 P00352 1/20 0.40
TSHR P16473 1/20 0.40
BRD4 O60885 8/20 0.37
BRD2 P25440 4/20 0.36
BRD3 Q15059 3/20 0.36
PDE7A Q13946 1/20 0.36
GAA P10253 2/20 0.36
CREBBP Q92793 1/20 0.36
NPC1 O15118 2/20 0.35
AURKA O14965 1/20 0.35
AURKB Q96GD4 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
TP53 P04637 1/20 0.35
RAB9A P51151 1/20 0.35
TEAD4 Q15561 1/20 0.35
FTO Q9C0B1 1/20 0.34
LMNA P02545 1/20 0.34

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
SCHEMBL3107451 0.87 GCG (0.49) P2RY14
SCHEMBL3089964 0.86 GCG (0.35) RCE1P2RY14TSHRBRD4BRD2
SCHEMBL3095498 0.85 RCE1 (0.44) RCE1PDE7AGAANPC1SMN1; SMN2
SCHEMBL3094894 0.84 RCE1 (0.49) RCE1ALDH1A1GAANPC1SMN1; SMN2
SCHEMBL3107553 0.83 RCE1 (0.49) RCE1ALDH1A1PDE7AGAANPC1
SCHEMBL3101341 0.83 RCE1 (0.48) RCE1ALDH1A1GAANPC1SMN1; SMN2
SCHEMBL3095487 0.82 RCE1 (0.45) RCE1ALDH1A1NPC1TP53RAB9A
SCHEMBL3113651 0.82 RCE1 (0.45) RCE1ALDH1A1NPC1RAB9A
SCHEMBL3109938 0.81 RCE1 (0.45) RCE1ALDH1A1PDE7AGAACREBBP
SCHEMBL3100066 0.81 RCE1 (0.54) RCE1ALDH1A1SMN1; SMN2TEAD4LMNA

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 3126/4885P2RY14 2395/4885ALDH1A1 3963/4885

“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.