SCHEMBL4285659

SCHEMBL4285659

Cc1ccc(OCC[C@@H]2CN(C(=O)O)CCN2)c(F)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 1/20 0.39
KDM4E B2RXH2 9/20 0.37
ALDH1A1 P00352 4/20 0.37
HTT P42858 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
GAA P10253 3/20 0.37
NPC1 O15118 2/20 0.36
HPGD P15428 2/20 0.36
RAB9A P51151 2/20 0.36
GLA P06280 1/20 0.36
GRIN2B Q13224 3/20 0.36
GRIN1 Q05586 2/20 0.36
TSHR P16473 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
RXRB P28702 1/20 0.35
CA1 P00915 2/20 0.35
CA2 P00918 2/20 0.35
CA4 P22748 2/20 0.35
CA9 Q16790 2/20 0.35
TDP1 Q9NUW8 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
SCHEMBL4749687 1.00 MRGPRX4 (0.39) MRGPRX4KDM4EALDH1A1HTTL3MBTL1
Hydrochloric Acid SCHEMBL4286055 0.99 MRGPRX4 (0.39) MRGPRX4KDM4EALDH1A1HTTL3MBTL1
SCHEMBL4286365 0.87 PTGDR2 (0.39) MRGPRX4KDM4EALDH1A1NPC1HPGD
SCHEMBL4752310 0.87 PTGDR2 (0.39) MRGPRX4KDM4EALDH1A1NPC1HPGD
SCHEMBL4292951 0.87 KDM4E (0.43) MRGPRX4KDM4EALDH1A1HTTL3MBTL1
Hydrochloric Acid SCHEMBL4283605 0.87 ALDH1A1 (0.39) KDM4EALDH1A1HTTL3MBTL1GAA
Hydrochloric Acid SCHEMBL4285448 0.87 CPS1 (0.40)
Hydrochloric Acid SCHEMBL4295442 0.86 KDM4E (0.47) KDM4EALDH1A1HTTL3MBTL1NPC1
Hydrochloric Acid SCHEMBL4285718 0.86 KDM4E (0.41) KDM4EALDH1A1HTTL3MBTL1SMN1; SMN2
SCHEMBL4287310 0.86 TTR (0.37) ALDH1A1HTTRAB9ACA1CA2

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 MRGPRX4 474/4885KDM4E 760/4885ALDH1A1 388/4885
US-20090227560-A1 Substituted imidazole compound and use thereof REN, ACE, AGT MRGPRX4 474/4885KDM4E 760/4885ALDH1A1 388/4885

“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.