SCHEMBL3112947

SCHEMBL3112947

Cc1oc(-c2ccc(F)cc2F)cc1C(Nc1ccc(C(=O)O)cc1)C1CCCCC1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RCE1 Q9Y256 1/20 0.43
MAPK14 Q16539 2/20 0.37
ACKR3 P25106 8/20 0.37
KCNH2 Q12809 2/20 0.37
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 3/20 0.34
GAA P10253 1/20 0.34
RAB9A P51151 2/20 0.34
TP53 P04637 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
PTGS1 P23219 1/20 0.34
PTGS2 P35354 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
SCHEMBL3095452 0.93 RCE1 (0.43) RCE1MAPK14ACKR3CYP3A4CYP2D6
SCHEMBL3113651 0.88 RCE1 (0.45) RCE1CYP3A4CYP2D6CYP2C9NR1H4
SCHEMBL3106715 0.87 GCG (0.44) MAPK14
SCHEMBL3102072 0.87 TACR1 (0.36) RCE1MAPK14ACKR3KCNH2
SCHEMBL3095293 0.83 RCE1 (0.43) RCE1KCNH2CYP3A4CYP2D6CYP2C9
SCHEMBL3098650 0.83 NPC1 (0.43) RCE1CYP3A4CYP2D6CYP2C9NR1H4
SCHEMBL3094894 0.82 RCE1 (0.49) RCE1CYP3A4CYP2D6CYP2C9NPC1
SCHEMBL3089854 0.82 RCE1 (0.46) RCE1KCNH2CYP3A4CYP2D6CYP2C9
SCHEMBL3093889 0.81 SMN1; SMN2 (0.35) ACKR3KCNH2CYP3A4CYP2D6CYP2C9
SCHEMBL3101341 0.81 RCE1 (0.48) RCE1CYP3A4CYP2D6CYP2C9NPC1

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 3126/4885MAPK14 1389/4885ACKR3 370/4885

“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.