SCHEMBL3095487

SCHEMBL3095487

Cc1oc(-c2ccc(Cl)cc2)cc1C(Nc1ccc(C(=O)O)cc1)C1CCCCC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RCE1 Q9Y256 1/20 0.45
NPC1 O15118 3/20 0.45
RAB9A P51151 3/20 0.45
NR1H4 Q96RI1 8/20 0.43
CYP2C9 P11712 4/20 0.43
CYP3A4 P08684 3/20 0.43
CYP2D6 P10635 3/20 0.43
MMP13 P45452 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.40
KCNH2 Q12809 2/20 0.40
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
KMT2A Q03164 1/20 0.38
MAPK11 Q15759 1/20 0.37
MAPK14 Q16539 1/20 0.37
TP53 P04637 1/20 0.37
MAPT P10636 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
PDE4B Q07343 1/20 0.37
PDE4D Q08499 1/20 0.37

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) RCE1NPC1RAB9ACYP2C9CYP3A4
SCHEMBL3113651 0.90 RCE1 (0.45) RCE1NPC1RAB9ANR1H4CYP2C9
SCHEMBL3101341 0.90 RCE1 (0.48) RCE1NPC1RAB9ACYP2C9CYP3A4
SCHEMBL3107553 0.88 RCE1 (0.49) RCE1NPC1RAB9ANR1H4CYP2C9
SCHEMBL3106785 0.88 ALDH1A1 (0.47) RCE1NPC1RAB9ACYP2C9CYP3A4
SCHEMBL3098650 0.88 NPC1 (0.43) RCE1NPC1RAB9ANR1H4CYP2C9
SCHEMBL3095367 0.88 RCE1 (0.43) RCE1CYP3A4MMP13
SCHEMBL3102268 0.88 RCE1 (0.43) RCE1NPC1NR1H4MMP13MEN1
SCHEMBL3095293 0.88 RCE1 (0.43) RCE1NPC1RAB9ANR1H4CYP2C9
SCHEMBL3107662 0.87 GCG (0.52)

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 3126/4885NPC1 3994/4885RAB9A 3790/4885

“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.