SCHEMBL3098650

SCHEMBL3098650

Cc1oc(-c2ccc(Cl)cc2Cl)cc1C(Nc1ccc(C(=O)O)cc1)C1CCCCC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.43
MAPT P10636 2/20 0.43
KDM4E B2RXH2 2/20 0.43
GAA P10253 2/20 0.43
MCL1 Q07820 2/20 0.43
POLB P06746 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
RCE1 Q9Y256 1/20 0.43
RAB9A P51151 2/20 0.40
SRD5A2 P31213 1/20 0.38
CNR1 P21554 8/20 0.38
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
NR1H4 Q96RI1 1/20 0.37
HSD11B1 P28845 2/20 0.36
KDM1A O60341 1/20 0.36
RCOR1 Q9UKL0 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
CNR2 P34972 2/20 0.35

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
SCHEMBL3095293 0.93 RCE1 (0.43) NPC1MAPTKDM4EGAAMCL1
SCHEMBL3095487 0.88 RCE1 (0.45) NPC1MAPTRCE1RAB9ACYP3A4
SCHEMBL3102588 0.87 GCG (0.48)
SCHEMBL3098666 0.87 GCG (0.35) NPC1MAPTKDM4EGAAMCL1
SCHEMBL3095452 0.83 RCE1 (0.43) NPC1KDM4EGAARCE1RAB9A
SCHEMBL3112947 0.83 RCE1 (0.43) NPC1GAARCE1RAB9ACYP3A4
SCHEMBL3094894 0.82 RCE1 (0.49) NPC1MAPTKDM4EGAARCE1
SCHEMBL3110232 0.81 CNR1 (0.38) NPC1MAPTKDM4EGAAMCL1
SCHEMBL3101341 0.81 RCE1 (0.48) NPC1MAPTKDM4EGAARCE1
SCHEMBL3095558 0.81 GCG (0.50)

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 NPC1 3994/4885MAPT 4877/4885KDM4E 2280/4885

“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.