SCHEMBL4282907

SCHEMBL4282907

O=C(O)N1CCN(C(=O)O)[C@H](CCOc2nc(F)c(F)cc2F)C1

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 3/20 0.32
HCRTR2 O43614 3/20 0.32
FNTA P49354 2/20 0.32
FNTB P49356 2/20 0.32
CDK4 P11802 1/20 0.30
CCND1 P24385 1/20 0.30
CCND3 P30281 1/20 0.30
CDK6 Q00534 1/20 0.30

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
SCHEMBL4290262 0.80 CA1 (0.33)
SCHEMBL4295523 0.79 HCRTR1 (0.36) HCRTR1HCRTR2
SCHEMBL4282070 0.78 NPC1 (0.48) HCRTR1HCRTR2
SCHEMBL4285547 0.78 KDM4E (0.37) HCRTR1HCRTR2
SCHEMBL4286428 0.76 HCRTR1 (0.47) HCRTR1HCRTR2
SCHEMBL4291196 0.76 KDM4E (0.45) HCRTR1HCRTR2
SCHEMBL4284003 0.76 HCRTR1 (0.41) HCRTR1HCRTR2
SCHEMBL4290199 0.76 HCRTR1 (0.41) HCRTR1HCRTR2
SCHEMBL4290686 0.75 ENPP2 (0.43) HCRTR1HCRTR2
SCHEMBL3494366 0.74 TEAD1 (0.50)

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 3136/4885FNTA 1157/4885
US-20090227560-A1 Substituted imidazole compound and use thereof REN, ACE, AGT HCRTR1 3147/4885HCRTR2 3136/4885FNTA 1157/4885

“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.