SCHEMBL4281534

SCHEMBL4281534

COc1cccc(C[C@@H]2CN(C(=O)O)CCN2)c1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CCR3 P51677 1/20 0.49
CA1 P00915 2/20 0.47
CA2 P00918 2/20 0.47
CA4 P22748 2/20 0.47
CA9 Q16790 2/20 0.47
EED O75530 2/20 0.46
KMT2A Q03164 4/20 0.44
MEN1 O00255 3/20 0.44
HTR1A P08908 1/20 0.44
SLC6A4 P31645 1/20 0.44
FAAH O00519 1/20 0.43
SIGMAR1 Q99720 2/20 0.43
KDM4E B2RXH2 2/20 0.43
GRIN2B Q13224 1/20 0.43
POLB P06746 1/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
MAPT P10636 1/20 0.43
RECQL P46063 1/20 0.43

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
SCHEMBL19049075 0.91 CCR3 (0.51) CCR3CA1CA2CA4CA9
SCHEMBL19002806 0.89 CCR3 (0.47) CCR3CA1CA2CA4CA9
SCHEMBL21169224 0.88 CCR3 (0.47) CCR3CA1CA2CA4CA9
SCHEMBL13705102 0.86 CCR3 (0.45) CCR3CA1CA2CA4CA9
SCHEMBL6132670 0.86 CCR3 (0.45) CCR3CA1CA2CA4CA9
SCHEMBL3495230 0.82 CA1 (0.62) CA1CA2CA4CA9KMT2A
SCHEMBL5719329 0.82 CA1 (0.62) CA1CA2CA4CA9KMT2A
SCHEMBL4749948 0.82 CA1 (0.62) CA1CA2CA4CA9KMT2A
Hydrochloric Acid SCHEMBL6133157 0.81 RHOA (0.52) CCR3CA1CA2CA4CA9
SCHEMBL23222258 0.80 SLC6A4 (0.45) EEDHTR1ASLC6A4SIGMAR1KDM4E

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 CCR3 4507/4885CA1 2275/4885CA2 218/4885
US-20090227560-A1 Substituted imidazole compound and use thereof REN, ACE, AGT CCR3 4507/4885CA1 2275/4885CA2 218/4885

“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.