SCHEMBL4281389

SCHEMBL4281389

O=C(O)N1CCN(C(=O)O)[C@H](CCOc2cc(C(F)(F)F)cc(C(F)(F)F)c2)C1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RBP4 P02753 1/20 0.38
ALDH1A1 P00352 3/20 0.38
GAA P10253 3/20 0.38
KDM4E B2RXH2 2/20 0.38
LMNA P02545 2/20 0.38
HTT P42858 2/20 0.38
KMT2A Q03164 1/20 0.38
MGLL Q99685 1/20 0.35
TEAD1 P28347 1/20 0.35
TEAD3 Q99594 1/20 0.35
IDO1 P14902 1/20 0.34
TDO2 P48775 1/20 0.34
CETP P11597 3/20 0.34
ENPP2 Q13822 1/20 0.34
TACR1 P25103 4/20 0.33
MAPT P10636 1/20 0.33
RHOA P61586 1/20 0.33
S1PR1 P21453 1/20 0.33

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
SCHEMBL4283350 0.93 SCN9A (0.39) RBP4ALDH1A1GAAKDM4ELMNA
SCHEMBL4295523 0.84 HCRTR1 (0.36) KDM4EHTTTEAD1TEAD3MAPT
SCHEMBL3494366 0.80 TEAD1 (0.50) ALDH1A1GAAKDM4ELMNAKMT2A
SCHEMBL4286428 0.80 HCRTR1 (0.47) ALDH1A1GAAKDM4EHTTMAPT
SCHEMBL4287459 0.79 KMT2A (0.49) ALDH1A1GAAKDM4EKMT2A
SCHEMBL4290686 0.78 ENPP2 (0.43) ALDH1A1TEAD1TEAD3ENPP2
SCHEMBL4284889 0.78 SCN9A (0.40) RBP4ALDH1A1GAAKDM4ELMNA
SCHEMBL4281983 0.77 L3MBTL1 (0.48) ALDH1A1GAAKDM4EHTTKMT2A
SCHEMBL4281940 0.77 KCNA5 (0.46) ALDH1A1LMNAHTTKMT2A
SCHEMBL4286026 0.77 HPGD (0.49) ALDH1A1GAAKDM4EKMT2AMAPT

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 RBP4 2468/4885ALDH1A1 388/4885GAA 1381/4885
US-20090227560-A1 Substituted imidazole compound and use thereof REN, ACE, AGT RBP4 2468/4885ALDH1A1 388/4885GAA 1381/4885

“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.