SCHEMBL4287898

SCHEMBL4287898

CC(=O)c1cccc(NCC[C@@H]2CN(C(=O)O)CCN2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 2/20 0.44
SLC6A4 P31645 2/20 0.44
CCR3 P51677 2/20 0.44
SLC6A3 Q01959 2/20 0.44
ATM Q13315 1/20 0.42
NPC1 O15118 4/20 0.41
RAB9A P51151 2/20 0.41
KMT2A Q03164 4/20 0.41
MEN1 O00255 3/20 0.40
MAPT P10636 2/20 0.40
ALDH1A1 P00352 2/20 0.40
LMNA P02545 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TP53 P04637 1/20 0.39
HPGD P15428 1/20 0.39
HTT P42858 1/20 0.39

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
SCHEMBL4750110 0.90 HTR7 (0.48) CCR3RAB9AKMT2AMEN1ALDH1A1
SCHEMBL4284056 0.90 HTR7 (0.48) CCR3RAB9AKMT2AMEN1ALDH1A1
SCHEMBL4284858 0.87 CA1 (0.42) ATMNPC1RAB9AMAPTALDH1A1
SCHEMBL8116637 0.86 CCR3 (0.44) SLC6A2SLC6A4CCR3SLC6A3NPC1
SCHEMBL4294740 0.85 MAN1B1 (0.43) CCR3
SCHEMBL4295533 0.80 ATM (0.43) CCR3ATMNPC1RAB9AKMT2A
SCHEMBL4282105 0.78 POLB (0.48) NPC1RAB9AKMT2AMEN1MAPT
Hydrochloric Acid SCHEMBL4283409 0.78 MAOB (0.44) NPC1RAB9AKMT2AMEN1ALDH1A1
SCHEMBL4291132 0.77 MAPT (0.42) CCR3RAB9AKMT2AMEN1MAPT
SCHEMBL4291328 0.76 CA1 (0.38) NPC1RAB9AKMT2AMEN1ALDH1A1

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 SLC6A2 149/4885SLC6A4 529/4885CCR3 4507/4885
US-20090227560-A1 Substituted imidazole compound and use thereof REN, ACE, AGT SLC6A2 149/4885SLC6A4 529/4885CCR3 4507/4885

“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.