SCHEMBL4287699

SCHEMBL4287699

O=C(O)N[C@H]1CCCC[C@@H]1n1cnc(C(=O)N2CCNC[C@H]2CCOc2ccc(F)c(F)c2)c1-c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 10/20 0.43
HCRTR2 O43614 9/20 0.43
CHEK2 O96017 1/20 0.35
CPT1A P50416 1/20 0.32
AVPR1B P47901 1/20 0.32
KDM1A O60341 1/20 0.32
ALDH1A1 P00352 1/20 0.31

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
SCHEMBL8118892 0.95 HCRTR1 (0.42) HCRTR1HCRTR2CHEK2CPT1A
SCHEMBL13705418 0.95 HCRTR1 (0.42) HCRTR1HCRTR2CHEK2CPT1A
SCHEMBL4281562 0.95 HCRTR1 (0.44) HCRTR1HCRTR2CHEK2AVPR1BKDM1A
SCHEMBL13705411 0.92 HCRTR1 (0.43) HCRTR1HCRTR2CHEK2KDM1A
SCHEMBL8124697 0.92 HCRTR1 (0.43) HCRTR1HCRTR2CHEK2KDM1A
SCHEMBL4293877 0.92 HCRTR1 (0.42) HCRTR1HCRTR2CHEK2
SCHEMBL4285337 0.92 HCRTR1 (0.43) HCRTR1HCRTR2CHEK2CPT1A
SCHEMBL4285166 0.91 HCRTR1 (0.43) HCRTR1HCRTR2CHEK2AVPR1B
SCHEMBL4283473 0.91 HCRTR1 (0.44) HCRTR1HCRTR2CHEK2CPT1A
SCHEMBL4293415 0.91 HCRTR1 (0.44) HCRTR1HCRTR2CHEK2ALDH1A1

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 HCRTR1 3147/4885HCRTR2 3136/4885CHEK2 3289/4885
US-20090227560-A1 Substituted imidazole compound and use thereof REN, ACE, AGT HCRTR1 3147/4885HCRTR2 3136/4885CHEK2 3289/4885

“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.