SCHEMBL4283986

SCHEMBL4283986

COc1cccc(NCC[C@@H]2CN(Cc3ccccc3)CCN2C(=O)c2ncn(CC3(O)CCCCC3)c2-c2ccccc2)c1F

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.34
CHRM4 P08173 3/20 0.33
CCR1 P32246 2/20 0.33
USP7 Q93009 2/20 0.32
OPRD1 P41143 1/20 0.32
OPRK1 P41145 1/20 0.32
CA1 P00915 2/20 0.32
CA2 P00918 2/20 0.32
CA4 P22748 2/20 0.32
CA9 Q16790 2/20 0.32
RAB9A P51151 1/20 0.32
SLC6A12 P48065 1/20 0.32
LMNA P02545 1/20 0.32
DRD4 P21917 2/20 0.31
USP19 O94966 1/20 0.31
BCHE P06276 1/20 0.31
DRD2 P14416 1/20 0.31
DRD3 P35462 1/20 0.31
CTSD P07339 1/20 0.31

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
SCHEMBL4291165 0.88 KCNH2 (0.36) USP7LMNABCHE
SCHEMBL4291076 0.86 USP19 (0.41) USP7USP19
SCHEMBL4288789 0.77 USP19 (0.38) USP7USP19
SCHEMBL4294599 0.77 USP7 (0.36) USP7USP19
SCHEMBL4284658 0.74 KCNH2 (0.42) ALDH1A1OPRK1CA1CA2CA4
SCHEMBL4286033 0.74 USP19 (0.43) USP7USP19
SCHEMBL4281300 0.72 USP19 (0.39) USP7USP19
SCHEMBL4294441 0.72 USP19 (0.36) USP19
SCHEMBL4282192 0.71 USP19 (0.43) USP7USP19
SCHEMBL4290397 0.71 CA1 (0.40) USP7CA1CA2CA4CA9

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 5 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-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
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 ALDH1A1 388/4885CHRM4 3875/4885CCR1 4219/4885
US-20090227560-A1 Substituted imidazole compound and use thereof REN, ACE, AGT ALDH1A1 388/4885CHRM4 3875/4885CCR1 4219/4885

“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.