SCHEMBL4286181

SCHEMBL4286181

CCc1nc2ccc(OCC[C@@H]3CN(C(=O)O)CCN3C(=O)O)c(C)c2o1

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 6/20 0.34
MTNR1B P49286 6/20 0.34
KMT2A Q03164 2/20 0.34
FNTA P49354 2/20 0.32
FNTB P49356 2/20 0.32
MEN1 O00255 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
PPARG P37231 1/20 0.32
PPARD Q03181 1/20 0.32
PPARA Q07869 1/20 0.32
POLB P06746 1/20 0.31

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
SCHEMBL4288941 0.90 KMT2A (0.35) MTNR1AMTNR1BKMT2AFNTAFNTB
SCHEMBL4295541 0.83 HSP90AA1 (0.36) MTNR1AMTNR1BKMT2AMEN1
SCHEMBL4285120 0.81 NPC1 (0.39) KMT2AMEN1POLB
SCHEMBL8119741 0.81 PARP1 (0.47) KMT2AMEN1
SCHEMBL4285430 0.79 GAA (0.42)
SCHEMBL4287420 0.76 S1PR4 (0.38) KMT2AFNTAFNTBMEN1
SCHEMBL4285550 0.74 MEN1 (0.40) KMT2AMEN1
SCHEMBL4289498 0.73 TLR7 (0.39)
SCHEMBL4287941 0.73 KDM4E (0.47) KMT2AMEN1NPSR1
SCHEMBL4297009 0.73 KDM4E (0.47) KMT2AMEN1NPSR1

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 MTNR1A 1411/4885MTNR1B 856/4885KMT2A 1049/4885
US-20090227560-A1 Substituted imidazole compound and use thereof REN, ACE, AGT MTNR1A 1411/4885MTNR1B 856/4885KMT2A 1049/4885

“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.