SCHEMBL4290199

SCHEMBL4290199

O=C(O)N1CCN(C(=O)O)[C@H](CCOc2ccc(Cl)cc2F)C1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 1/20 0.41
HCRTR2 O43614 1/20 0.41
PTGDR2 Q9Y5Y4 2/20 0.40
MRGPRX4 Q96LA9 1/20 0.40
KDM4E B2RXH2 4/20 0.40
USP30 Q70CQ3 1/20 0.40
ALDH1A1 P00352 3/20 0.39
MEN1 O00255 1/20 0.39
HPGD P15428 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C19 P33261 1/20 0.38
RBP4 P02753 1/20 0.38
MAPT P10636 1/20 0.37
ALOX12 P18054 1/20 0.37

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
SCHEMBL4284003 0.87 HCRTR1 (0.41) HCRTR1HCRTR2MRGPRX4KDM4EALDH1A1
SCHEMBL4291196 0.87 KDM4E (0.45) HCRTR1HCRTR2KDM4EALDH1A1MEN1
SCHEMBL4289383 0.86 RAB9A (0.43) KDM4EALDH1A1MEN1HPGDKMT2A
SCHEMBL4282070 0.85 NPC1 (0.48) HCRTR1HCRTR2KDM4EALDH1A1MEN1
SCHEMBL4290115 0.85 ALDH1A1 (0.45) HCRTR1HCRTR2KDM4EALDH1A1MEN1
SCHEMBL4285580 0.85 CPS1 (0.46) HCRTR1HCRTR2KDM4E
SCHEMBL4283120 0.85 CYP1A2 (0.43) PTGDR2KDM4EALDH1A1MEN1HPGD
SCHEMBL4290602 0.83 HCRTR1 (0.39) HCRTR1HCRTR2KDM4EALDH1A1KMT2A
SCHEMBL4281735 0.83 HCRTR1 (0.38) HCRTR1HCRTR2KDM4EKCNH2GPR119
SCHEMBL4281940 0.82 KCNA5 (0.46) ALDH1A1MEN1HPGDKMT2ARAB9A

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 HCRTR1 3147/4885HCRTR2 3136/4885PTGDR2 1872/4885
US-20090227560-A1 Substituted imidazole compound and use thereof REN, ACE, AGT HCRTR1 3147/4885HCRTR2 3136/4885PTGDR2 1872/4885

“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.