SCHEMBL4286428

SCHEMBL4286428

O=C(O)N1CCN(C(=O)O)[C@H](CCOc2ccc(F)cc2)C1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 4/20 0.47
HCRTR2 O43614 4/20 0.47
KDM4E B2RXH2 2/20 0.45
HTT P42858 1/20 0.45
MAPT P10636 2/20 0.43
POLB P06746 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
ALDH1A1 P00352 1/20 0.42
GAA P10253 1/20 0.42
RAB9A P51151 1/20 0.42
KCNA5 P22460 1/20 0.41
FKBP1A P62942 1/20 0.40

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
SCHEMBL3494366 0.88 TEAD1 (0.50) KDM4EMAPTSMN1; SMN2ALDH1A1GAA
SCHEMBL4286026 0.88 HPGD (0.49) KDM4EMAPTPOLBSMN1; SMN2ALDH1A1
SCHEMBL4281940 0.88 KCNA5 (0.46) HTTALDH1A1RAB9AKCNA5
SCHEMBL4295523 0.88 HCRTR1 (0.36) HCRTR1HCRTR2KDM4EHTTMAPT
SCHEMBL4281983 0.88 L3MBTL1 (0.48) KDM4EHTTMAPTSMN1; SMN2ALDH1A1
SCHEMBL4285825 0.86 KCNA5 (0.49) HCRTR1HCRTR2MAPTALDH1A1KCNA5
SCHEMBL4290686 0.86 ENPP2 (0.43) HCRTR1HCRTR2ALDH1A1
SCHEMBL4294542 0.85 KDM4E (0.49) KDM4EMAPTALDH1A1GAA
SCHEMBL4287459 0.84 KMT2A (0.49) KDM4EPOLBSMN1; SMN2ALDH1A1GAA
SCHEMBL4295216 0.84 KMT2A (0.49) KDM4EMAPTALDH1A1RAB9AFKBP1A

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 3136/4885KDM4E 760/4885
US-20090227560-A1 Substituted imidazole compound and use thereof REN, ACE, AGT HCRTR1 3147/4885HCRTR2 3136/4885KDM4E 760/4885

“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.