SCHEMBL4288979

SCHEMBL4288979

O=C(O)N1CCN(C(=O)O)[C@H](CCOc2ccc3ccccc3c2)C1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR183 P32249 1/20 0.47
ALDH1A1 P00352 4/20 0.46
KDM4E B2RXH2 3/20 0.46
NPC1 O15118 1/20 0.46
HPGD P15428 1/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.44
POLB P06746 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
PTPN7 P35236 1/20 0.44
MAPT P10636 2/20 0.43
LMNA P02545 1/20 0.42
GAA P10253 1/20 0.42
ALOX15 P16050 1/20 0.42
HRH3 Q9Y5N1 3/20 0.42
CPT2 P23786 1/20 0.42

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) ALDH1A1KDM4ENPC1HPGDRAB9A
SCHEMBL4290172 0.84 GPR183 (0.46) GPR183KDM4ENPC1HPGDRAB9A
SCHEMBL4287625 0.83 KDM4E (0.50) ALDH1A1KDM4ESMN1; SMN2CYP2D6LMNA
SCHEMBL4290686 0.83 ENPP2 (0.43) ALDH1A1
SCHEMBL4285970 0.83 KDM4E (0.51) ALDH1A1KDM4ELMNAGAAHRH3
SCHEMBL4281940 0.82 KCNA5 (0.46) ALDH1A1HPGDRAB9ALMNAHRH3
SCHEMBL4286428 0.82 HCRTR1 (0.47) ALDH1A1KDM4ERAB9ASMN1; SMN2POLB
SCHEMBL4286026 0.82 HPGD (0.49) ALDH1A1KDM4EHPGDSMN1; SMN2POLB
SCHEMBL4281983 0.82 L3MBTL1 (0.48) ALDH1A1KDM4ESMN1; SMN2CYP1A2CYP3A4
SCHEMBL4294643 0.82 KDM4E (0.43) ALDH1A1KDM4EGAAHRH3MEN1

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 3 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
WO-2008139941-A1 SUBSTITUTED IMIDAZOLE COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-11-20 WO 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 GPR183 949/4885ALDH1A1 388/4885KDM4E 760/4885
US-20090227560-A1 Substituted imidazole compound and use thereof REN, ACE, AGT GPR183 949/4885ALDH1A1 388/4885KDM4E 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.