SCHEMBL3093799

SCHEMBL3093799

Cc1oc(-c2ccccn2)cc1C(O)C1CCCCC1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 2/20 0.39
GPR39 O43194 3/20 0.37
ALDH1A1 P00352 3/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
TP53 P04637 1/20 0.36
MAPK1 P28482 1/20 0.36
HIF1A Q16665 2/20 0.36
KDM4E B2RXH2 2/20 0.35
AHR P35869 1/20 0.35
CYP1A1 P04798 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP1B1 Q16678 1/20 0.35
BRD4 O60885 1/20 0.35
LMNA P02545 2/20 0.35
GAA P10253 1/20 0.34
HTT P42858 1/20 0.34
GFER P55789 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
Hydrochloric Acid SCHEMBL3098547 0.84 GPR39 (0.39) PDE4AGPR39ALDH1A1SMN1; SMN2NPC1
SCHEMBL3101593 0.82 BRD4 (0.37) ALDH1A1KDM4EBRD4
SCHEMBL3109150 0.81 SCD (0.35) NPC1RAB9ACYP1A1CYP1B1BRD4
SCHEMBL3113043 0.81 ALDH1A1 (0.39) ALDH1A1NPC1RAB9ATP53CYP1A2
SCHEMBL3094573 0.80 MMP13 (0.43) NPC1RAB9A
SCHEMBL3095541 0.79 ALDH1A1 (0.40) ALDH1A1NPC1RAB9ATP53KDM4E
SCHEMBL3107819 0.79 APLNR (0.40) BRD4
SCHEMBL3101221 0.79 BRD4 (0.36) BRD4
SCHEMBL3109648 0.79 BRD4 (0.39) PDE4ANPC1RAB9AHIF1AKDM4E
SCHEMBL3109799 0.78 PDE2A (0.41) KDM4EBRD4

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 PDE4A 3033/4885GPR39 261/4885ALDH1A1 3963/4885

“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.