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
SCHEMBL4281983 0.88 L3MBTL1 (0.48) KDM4EHTTMAPTSMN1; SMN2ALDH1A1
SCHEMBL4286026 0.88 HPGD (0.49) KDM4EMAPTPOLBSMN1; SMN2ALDH1A1
SCHEMBL4281940 0.88 KCNA5 (0.46) HTTALDH1A1RAB9AKCNA5
SCHEMBL4295523 0.88 HCRTR1 (0.36) HCRTR1HCRTR2KDM4EHTTMAPT
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.

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