SCHEMBL4281703

SCHEMBL4281703

Cc1ccc(OCC[C@@H]2CN(C(=O)O)CCN2)cc1C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
FKBP1A P62942 1/20 0.43
GPR183 P32249 1/20 0.42
PPARD Q03181 1/20 0.40
PPARG P37231 1/20 0.40
PPARA Q07869 1/20 0.40
DRD2 P14416 1/20 0.40
DRD3 P35462 1/20 0.40
HRH3 Q9Y5N1 1/20 0.39
NPC1 O15118 2/20 0.39
GAA P10253 1/20 0.39
HPGD P15428 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
ATM Q13315 1/20 0.38
MAPT P10636 1/20 0.38
REN P00797 1/20 0.37
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36

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
SCHEMBL4752778 1.00 RAB9A (0.44) RAB9ASMN1; SMN2FKBP1AGPR183PPARD
SCHEMBL4752088 0.89 DRD3 (0.38) RAB9ASMN1; SMN2DRD3GAAHPGD
SCHEMBL4282314 0.89 DRD3 (0.38) RAB9ASMN1; SMN2DRD3GAAHPGD
SCHEMBL4751897 0.87 L3MBTL1 (0.47) SMN1; SMN2PPARGPPARAGAAMEN1
SCHEMBL4282373 0.87 L3MBTL1 (0.47) SMN1; SMN2PPARGPPARAGAAMEN1
Hydrochloric Acid SCHEMBL4285610 0.86 L3MBTL1 (0.46) SMN1; SMN2PPARGPPARAGAAMEN1
SCHEMBL13705349 0.85 GPR183 (0.45) RAB9ASMN1; SMN2GPR183DRD2DRD3
SCHEMBL4752327 0.85 REN (0.37) SMN1; SMN2GAAHPGDKMT2AREN
SCHEMBL4281738 0.85 REN (0.37) SMN1; SMN2GAAHPGDKMT2AREN
SCHEMBL4750156 0.84 DRD3 (0.46) FKBP1ADRD3HPGDMEN1KMT2A

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 RAB9A 1247/4885SMN1; SMN2 4811/4885FKBP1A 1906/4885
US-20090227560-A1 Substituted imidazole compound and use thereof REN, ACE, AGT RAB9A 1247/4885SMN1; SMN2 4811/4885FKBP1A 1906/4885

“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.