SCHEMBL4287596

SCHEMBL4287596

O=C(O)N1CCN(Cc2ccccc2)[C@H](COc2cccc(C(F)(F)F)n2)C1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 4/20 0.41
CA2 P00918 4/20 0.41
CA4 P22748 4/20 0.41
CA9 Q16790 4/20 0.41
HCRTR2 O43614 4/20 0.40
LOXL2 Q9Y4K0 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
LMNA P02545 1/20 0.39
MGLL Q99685 1/20 0.39
OPRM1 P35372 1/20 0.38
KCNH2 Q12809 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
HCRTR1 O43613 3/20 0.37
CHRM2 P08172 1/20 0.37
HTR1A P08908 1/20 0.37
CACNA1G O43497 1/20 0.36
CACNA1H O95180 1/20 0.36
CACNA1I Q9P0X4 1/20 0.36
IDH1 O75874 1/20 0.36

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
SCHEMBL4290964 0.82 CA1 (0.44) CA1CA2CA4CA9SIGMAR1
SCHEMBL3491866 0.80 LMNA (0.51) MEN1KMT2ALMNASIGMAR1CHRM2
SCHEMBL27158488 0.76 HCRTR2 (0.41) HCRTR2LOXL2MGLLKCNH2HCRTR1
SCHEMBL27204297 0.76 HCRTR2 (0.41) HCRTR2LOXL2MGLLKCNH2HCRTR1
SCHEMBL4288835 0.76 SCN9A (0.43) HCRTR2LOXL2MGLLKCNH2HCRTR1
SCHEMBL4293977 0.75 FAAH (0.42) CA1CA2CA4CA9SIGMAR1
SCHEMBL4291429 0.74 CHRNB2 (0.46) CA1CA2CA4CA9MEN1
SCHEMBL3493200 0.73 CA1 (0.50) CA1CA2CA4CA9KMT2A
SCHEMBL26094136 0.73 CA1 (0.50) CA1CA2CA4CA9KMT2A
SCHEMBL26094131 0.73 CA1 (0.50) CA1CA2CA4CA9KMT2A

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 CA1 2275/4885CA2 218/4885CA4 296/4885
US-20090227560-A1 Substituted imidazole compound and use thereof REN, ACE, AGT CA1 2275/4885CA2 218/4885CA4 296/4885

“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.