SCHEMBL4285472

SCHEMBL4285472

O=C(O)N1CCN(C(=O)O)[C@H](CCOc2ccc(-n3ccnn3)cc2)C1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.48
GPR119 Q8TDV5 3/20 0.43
KCNH2 Q12809 2/20 0.43
PPARD Q03181 1/20 0.38
PPARA Q07869 1/20 0.38
JAK3 P52333 1/20 0.37
TEAD1 P28347 1/20 0.36
TEAD3 Q99594 1/20 0.36
KDM1A O60341 2/20 0.36
MAPT P10636 4/20 0.34
GAA P10253 2/20 0.34
USP2 O75604 2/20 0.34
KDM4E B2RXH2 1/20 0.34
NPC1 O15118 1/20 0.34
MAPK1 P28482 1/20 0.34
NOTUM Q6P988 3/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 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
SCHEMBL4291535 0.86 POLB (0.43) GPR119KCNH2JAK3TEAD1TEAD3
SCHEMBL4292796 0.82 CYP2D6 (0.52) CYP19A1MAPTCYP1A2CYP2D6CYP2C9
SCHEMBL4288516 0.81 CYP19A1 (0.47) CYP19A1GPR119KCNH2PPARDPPARA
SCHEMBL4286733 0.80 MAPT (0.49) KDM1AMAPTGAAUSP2KDM4E
Hydrochloric Acid SCHEMBL4291116 0.80 CYP19A1 (0.46) CYP19A1GPR119KCNH2PPARDPPARA
SCHEMBL3494366 0.80 TEAD1 (0.50) TEAD1TEAD3MAPTGAAUSP2
SCHEMBL4281983 0.79 L3MBTL1 (0.48) TEAD1TEAD3MAPTGAAKDM4E
SCHEMBL4286428 0.79 HCRTR1 (0.47) MAPTGAAKDM4EALDH1A1SMN1; SMN2
SCHEMBL4281940 0.79 KCNA5 (0.46) ALDH1A1
SCHEMBL4286026 0.79 HPGD (0.49) MAPTGAAKDM4EALDH1A1SMN1; SMN2

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 CYP19A1 705/4885GPR119 310/4885KCNH2 664/4885
US-20090227560-A1 Substituted imidazole compound and use thereof REN, ACE, AGT CYP19A1 705/4885GPR119 310/4885KCNH2 664/4885

“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.