SCHEMBL3106902

SCHEMBL3106902

Cc1ccc(-c2cc(C(Nc3ccc(C(=O)O)cc3)C3CCCCC3)c(C)o2)cn1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RCE1 Q9Y256 1/20 0.49
HPGD P15428 1/20 0.36
GRM5 P41594 2/20 0.36
LDHA P00338 1/20 0.35
LDHB P07195 1/20 0.35
ACKR3 P25106 2/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
NR1H4 Q96RI1 1/20 0.35
NPC1 O15118 2/20 0.34
GAA P10253 1/20 0.34
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
KMT2A Q03164 1/20 0.34
KIT P10721 1/20 0.34
TP53 P04637 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
TEAD4 Q15561 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
SCHEMBL3089854 0.91 RCE1 (0.46) RCE1LDHALDHBCYP3A4CYP2D6
SCHEMBL3107472 0.89 RCE1 (0.45) RCE1HPGDACKR3CYP3A4NPC1
SCHEMBL3095474 0.88 RCE1 (0.51) RCE1LDHALDHBNPC1MEN1
SCHEMBL3106548 0.87 GCG (0.48)
SCHEMBL13094229 0.87 HPGD (0.39) RCE1HPGDGRM5ACKR3PTGES
SCHEMBL3094894 0.86 RCE1 (0.49) RCE1HPGDLDHALDHBCYP3A4
SCHEMBL3107553 0.86 RCE1 (0.49) RCE1HPGDCYP3A4CYP2D6CYP2C9
SCHEMBL3095487 0.86 RCE1 (0.45) RCE1CYP3A4CYP2D6CYP2C9NR1H4
SCHEMBL3113651 0.86 RCE1 (0.45) RCE1CYP3A4CYP2D6CYP2C9NR1H4
SCHEMBL3099614 0.86 RCE1 (0.42) RCE1

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 3126/4885HPGD 1354/4885GRM5 2051/4885

“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.