SCHEMBL3095452

SCHEMBL3095452

Cc1cc(F)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
NPC1 O15118 3/20 0.34
GAA P10253 2/20 0.34
MAPK14 Q16539 2/20 0.34
RAB9A P51151 2/20 0.34
OXTR P30559 2/20 0.34
AVPR1A P37288 2/20 0.34
TP53 P04637 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
TEAD4 Q15561 1/20 0.34
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
NR1H4 Q96RI1 1/20 0.33
MITF O75030 1/20 0.33
ACKR3 P25106 1/20 0.33
HTR2B P41595 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL3112947 0.93 RCE1 (0.43) RCE1NPC1GAAMAPK14RAB9A
SCHEMBL3095293 0.89 RCE1 (0.43) RCE1NPC1GAARAB9ATP53
SCHEMBL3113651 0.88 RCE1 (0.45) RCE1NPC1RAB9ACYP3A4CYP2D6
SCHEMBL3101001 0.87 GCG (0.46)
SCHEMBL3112856 0.87 OXTR (0.36) RCE1MAPK14OXTRAVPR1ACYP2D6
SCHEMBL3098650 0.83 NPC1 (0.43) RCE1NPC1GAARAB9ACYP3A4
SCHEMBL3094894 0.82 RCE1 (0.49) RCE1NPC1GAARAB9ATP53
SCHEMBL3089854 0.82 RCE1 (0.46) RCE1NPC1GAARAB9ATP53
SCHEMBL3093662 0.81 OXTR (0.35) NPC1GAARAB9AOXTRAVPR1A
SCHEMBL3101341 0.81 RCE1 (0.48) RCE1NPC1GAARAB9ATP53

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 3994/4885GAA 2233/4885

“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.