SCHEMBL4287415

SCHEMBL4287415

O=C(O)N1CCN[C@H](COc2c(F)cccc2F)C1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
REN P00797 7/20 0.39
LTA4H P09960 1/20 0.38
CA1 P00915 2/20 0.37
CA2 P00918 2/20 0.37
CA4 P22748 2/20 0.37
CA9 Q16790 2/20 0.37
PARP1 P09874 2/20 0.36
RAB9A P51151 3/20 0.36
NPC1 O15118 2/20 0.36
ATM Q13315 1/20 0.36
ADRB1 P08588 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HSP90AA1 P07900 1/20 0.36
PKM P14618 1/20 0.36
MAPK1 P28482 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
MAPT P10636 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
CCR3 P51677 1/20 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
SCHEMBL4752483 0.88 REN (0.38) RENCA1CA2CA4CA9
SCHEMBL4281538 0.88 REN (0.38) RENCA1CA2CA4CA9
SCHEMBL13705094 0.84 GPR119 (0.43) MAPK1MAPT
SCHEMBL28045093 0.82 LTA4H (0.52) RENLTA4HCA1CA2CA4
SCHEMBL4288512 0.82 LTA4H (0.52) RENLTA4HCA1CA2CA4
SCHEMBL4979175 0.82 LTA4H (0.52) RENLTA4HCA1CA2CA4
SCHEMBL4292524 0.79 LTA4H (0.39) LTA4HPARP1ADRB1CCR3
Hydrochloric Acid SCHEMBL4290984 0.78 SCN9A (0.38) RENRAB9AKDM4EALDH1A1CCR3
SCHEMBL4287221 0.77 REN (0.42) RENLTA4HCA1CA2CA4
Hydrochloric Acid SCHEMBL4281883 0.76 NPC1 (0.43) CA1CA2CA4CA9RAB9A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090227560-A1 Substituted imidazole compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-09-10 US disclosed
US-20090156612-A1 Substituted imidazole compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-18 US disclosed
WO-2008139941-A1 SUBSTITUTED IMIDAZOLE COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-11-20 WO 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 (2 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-20090156612-A1 Substituted imidazole compound and use thereof REN, ACE, AGT REN 1/4885LTA4H 1197/4885CA1 2275/4885
US-20090227560-A1 Substituted imidazole compound and use thereof REN, ACE, AGT REN 1/4885LTA4H 1197/4885CA1 2275/4885

“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.