SCHEMBL3095293

SCHEMBL3095293

Cc1cc(Cl)ccc1-c1cc(C(Nc2ccc(C(=O)O)cc2)C2CCCCC2)c(C)o1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RCE1 Q9Y256 1/20 0.43
NR1H4 Q96RI1 3/20 0.37
CYP2C9 P11712 2/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
KDM1A O60341 1/20 0.36
RCOR1 Q9UKL0 1/20 0.36
MAPKAPK2 P49137 1/20 0.36
NPC1 O15118 5/20 0.36
GAA P10253 3/20 0.36
KDM4E B2RXH2 2/20 0.36
MCL1 Q07820 2/20 0.36
POLB P06746 2/20 0.36
MAPT P10636 2/20 0.36
NPSR1 Q6W5P4 1/20 0.36
KCNH2 Q12809 1/20 0.35
F11 P03951 1/20 0.34
RAB9A P51151 3/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
TSHR P16473 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
SCHEMBL3098650 0.93 NPC1 (0.43) RCE1NR1H4CYP2C9CYP3A4CYP2D6
SCHEMBL3095452 0.89 RCE1 (0.43) RCE1NR1H4CYP2C9CYP3A4CYP2D6
SCHEMBL3095487 0.88 RCE1 (0.45) RCE1NR1H4CYP2C9CYP3A4CYP2D6
SCHEMBL3095558 0.87 GCG (0.50)
SCHEMBL3110188 0.87 GCG (0.35) RCE1KDM1ARCOR1MAPKAPK2POLB
SCHEMBL3112947 0.83 RCE1 (0.43) RCE1NR1H4CYP2C9CYP3A4CYP2D6
SCHEMBL3094894 0.82 RCE1 (0.49) RCE1CYP2C9CYP3A4CYP2D6NPC1
SCHEMBL3106770 0.81 NR1H4 (0.35) NR1H4CYP2C9CYP3A4CYP2D6NPC1
SCHEMBL3101341 0.81 RCE1 (0.48) RCE1CYP2C9CYP3A4CYP2D6NPC1
SCHEMBL3102588 0.81 GCG (0.48)

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 3126/4885NR1H4 223/4885CYP2C9 2116/4885

“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.