SCHEMBL4281735

SCHEMBL4281735

CN(C)Cc1ccc(OCC[C@@H]2CN(C(=O)O)CCN2C(=O)O)c(F)c1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 1/20 0.38
HCRTR2 O43614 1/20 0.38
KDM4E B2RXH2 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
S1PR5 Q9H228 2/20 0.37
KDM1A O60341 2/20 0.37
CXCR3 P49682 4/20 0.36
KCNH2 Q12809 3/20 0.36
OPRK1 P41145 1/20 0.35
LTA4H P09960 1/20 0.35
S1PR1 P21453 1/20 0.35
HTR2A P28223 1/20 0.35
MCHR1 Q99705 1/20 0.35
GPR119 Q8TDV5 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34
LMNA P02545 1/20 0.34

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
SCHEMBL4284003 0.85 HCRTR1 (0.41) HCRTR1HCRTR2KDM4EL3MBTL1
SCHEMBL4287933 0.83 HRH3 (0.44) S1PR5OPRK1S1PR1HRH3
SCHEMBL4290115 0.83 ALDH1A1 (0.45) HCRTR1HCRTR2KDM4EL3MBTL1LMNA
SCHEMBL4285580 0.83 CPS1 (0.46) HCRTR1HCRTR2KDM4ELMNA
SCHEMBL4290199 0.83 HCRTR1 (0.41) HCRTR1HCRTR2KDM4EKCNH2GPR119
SCHEMBL4291196 0.83 KDM4E (0.45) HCRTR1HCRTR2KDM4EL3MBTL1KDM1A
SCHEMBL4290602 0.81 HCRTR1 (0.39) HCRTR1HCRTR2KDM4EHRH3LMNA
SCHEMBL4282070 0.81 NPC1 (0.48) HCRTR1HCRTR2KDM4EL3MBTL1LMNA
Hydrochloric Acid SCHEMBL4302104 0.81 KDM1A (0.36) S1PR5KDM1ACXCR3KCNH2LTA4H
Hydrochloric Acid SCHEMBL4286059 0.81 KDM1A (0.36) S1PR5KDM1ACXCR3KCNH2LTA4H

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.