SCHEMBL4294416

SCHEMBL4294416

O=C(O)N[C@H]1CCCC[C@@H]1n1cnc(C(=O)N2CCNC[C@H]2Cc2cccc(C(F)(F)F)c2)c1-c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MITF O75030 1/20 0.38
HCRTR1 O43613 2/20 0.37
HCRTR2 O43614 2/20 0.37
CYP3A4 P08684 1/20 0.37
CA1 P00915 2/20 0.37
CA2 P00918 2/20 0.37
CA4 P22748 2/20 0.37
CA9 Q16790 2/20 0.37
TACR1 P25103 6/20 0.36
SIGMAR1 Q99720 2/20 0.36
GRIN1 Q05586 1/20 0.35
GRIN2B Q13224 1/20 0.35
REN P00797 1/20 0.35
TRPV1 Q8NER1 1/20 0.34
TACR3 P29371 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
SCHEMBL4284763 0.92 TACR1 (0.39) MITFHCRTR1HCRTR2CA1CA2
Hydrochloric Acid SCHEMBL4294622 0.91 MITF (0.39) MITFHCRTR1HCRTR2CYP3A4CA1
SCHEMBL4291277 0.91 DPP4 (0.39) HCRTR1HCRTR2CYP3A4CA1CA2
SCHEMBL4283733 0.90 CA1 (0.44) HCRTR1HCRTR2CYP3A4CA1CA2
SCHEMBL4283871 0.90 CA1 (0.44) HCRTR1HCRTR2CYP3A4CA1CA2
SCHEMBL4289518 0.90 CA1 (0.44) HCRTR1HCRTR2CYP3A4CA1CA2
SCHEMBL4296474 0.90 CA1 (0.44) HCRTR1HCRTR2CYP3A4CA1CA2
SCHEMBL4287889 0.88 DPP4 (0.41) HCRTR1HCRTR2CYP3A4CA1CA2
SCHEMBL4283749 0.88 DPP4 (0.38) HCRTR1HCRTR2CYP3A4CA1CA2
SCHEMBL4284834 0.88 CA1 (0.38) HCRTR1HCRTR2CYP3A4CA1CA2

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 2 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

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 MITF 1142/4885HCRTR1 3147/4885HCRTR2 3136/4885
US-20090227560-A1 Substituted imidazole compound and use thereof REN, ACE, AGT MITF 1142/4885HCRTR1 3147/4885HCRTR2 3136/4885

“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.