SCHEMBL3109150

SCHEMBL3109150

Cc1oc(-c2ccc(F)cn2)cc1C(O)C1CCCCC1

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SCD O00767 1/20 0.35
SCD5 Q86SK9 1/20 0.35
MMP13 P45452 3/20 0.34
BRD4 O60885 2/20 0.34
CYP1A1 P04798 1/20 0.34
CYP1B1 Q16678 1/20 0.34
CYP11B2 P19099 3/20 0.33
CYP11B1 P15538 2/20 0.33
IDO1 P14902 5/20 0.33
TDO2 P48775 5/20 0.33
SIGMAR1 Q99720 1/20 0.33
GRIA2 P42262 2/20 0.32
GRM5 P41594 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31

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
SCHEMBL3095337 0.86 CYP1A1 (0.36) SCDSCD5MMP13CYP1A1CYP1B1
SCHEMBL3109799 0.85 PDE2A (0.41) MMP13BRD4CYP11B2CYP11B1IDO1
SCHEMBL3094573 0.85 MMP13 (0.43) SCDSCD5MMP13IDO1TDO2
SCHEMBL3106796 0.82 NPC1 (0.40) MMP13BRD4IDO1TDO2NPC1
SCHEMBL3093799 0.81 PDE4A (0.39) BRD4CYP1A1CYP1B1NPC1RAB9A
SCHEMBL3101221 0.80 BRD4 (0.36) BRD4IDO1TDO2
SCHEMBL3104373 0.79 BRD4 (0.36) BRD4IDO1TDO2GRIA2
SCHEMBL3110115 0.79 IDO1 (0.36) BRD4IDO1TDO2NPC1RAB9A
SCHEMBL3109064 0.79 ACKR3 (0.38) IDO1NPC1RAB9A
SCHEMBL3090921 0.76 BRD4 (0.37) BRD4IDO1TDO2GRIA2

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 SCD 4815/4885SCD5 4694/4885MMP13 3966/4885

“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.