SCHEMBL4285584

SCHEMBL4285584

COc1ccc(OCC[C@@H]2CN(C(=O)O)CCN2)c(Cl)c1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 1/20 0.44
NPC1 O15118 9/20 0.42
RAB9A P51151 8/20 0.42
MRGPRX4 Q96LA9 1/20 0.41
HTT P42858 2/20 0.40
NPSR1 Q6W5P4 2/20 0.40
PPARA Q07869 1/20 0.40
KDM4E B2RXH2 2/20 0.38
S1PR4 O95977 1/20 0.38
HCRTR1 O43613 1/20 0.38
HCRTR2 O43614 1/20 0.38
MAPT P10636 1/20 0.37
HPGD P15428 1/20 0.37

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
SCHEMBL4753536 1.00 DRD3 (0.44) DRD3NPC1RAB9AMRGPRX4HTT
SCHEMBL4751931 0.92 HCRTR1 (0.38) DRD3NPC1RAB9AHTTNPSR1
SCHEMBL4294633 0.92 HCRTR1 (0.38) DRD3NPC1RAB9AHTTNPSR1
Hydrochloric Acid SCHEMBL4285557 0.88 FFAR1 (0.36) NPC1RAB9ANPSR1KDM4EHPGD
SCHEMBL4292951 0.88 KDM4E (0.43) RAB9AMRGPRX4HTTNPSR1KDM4E
Hydrochloric Acid SCHEMBL4285448 0.87 CPS1 (0.40)
SCHEMBL4281738 0.87 REN (0.37) HTTKDM4EHPGD
SCHEMBL4752327 0.87 REN (0.37) HTTKDM4EHPGD
SCHEMBL8117540 0.86 MRGPRX4 (0.44) DRD3NPC1RAB9AMRGPRX4
SCHEMBL4281811 0.84 PTGES (0.42) NPC1RAB9AHTTNPSR1KDM4E

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 DRD3 3476/4885NPC1 1165/4885RAB9A 1247/4885
US-20090227560-A1 Substituted imidazole compound and use thereof REN, ACE, AGT DRD3 3476/4885NPC1 1165/4885RAB9A 1247/4885

“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.