SCHEMBL4281753

SCHEMBL4281753

COC[C@]1(O)CCCC[C@H]1n1cnc(C(=O)N2CCNC[C@H]2CCNc2ccc3c(c2)OCO3)c1-c1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
USP19 O94966 8/20 0.36
ALDH1A1 P00352 1/20 0.32
TSHR P16473 1/20 0.32
HCRTR1 O43613 2/20 0.32
HCRTR2 O43614 2/20 0.32
SCD5 Q86SK9 1/20 0.31
CHRM3 P20309 1/20 0.31
ACP1 P24666 1/20 0.31
TP53 P04637 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
NOS2 P35228 1/20 0.30
CCKBR P32239 1/20 0.30
USP2 O75604 1/20 0.30
ADRA2A P08913 1/20 0.30
ADRA2B P18089 1/20 0.30
ADRA2C P18825 1/20 0.30
ADRA1D P25100 1/20 0.30
ADRA1A P35348 1/20 0.30
ADRA1B P35368 1/20 0.30

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
SCHEMBL4281275 0.91 USP19 (0.37) USP19HCRTR1HCRTR2
SCHEMBL4286585 0.89 HCRTR1 (0.37) USP19HCRTR1HCRTR2
SCHEMBL4289782 0.89 USP19 (0.35) USP19HCRTR1HCRTR2
SCHEMBL4296377 0.89 USP19 (0.37) USP19HCRTR1HCRTR2ACP1
SCHEMBL4294576 0.89 USP19 (0.38) USP19HCRTR1HCRTR2
SCHEMBL4285824 0.89 USP19 (0.35) USP19ALDH1A1
SCHEMBL4285017 0.89 USP19 (0.35) USP19
SCHEMBL4293009 0.89 USP19 (0.35) USP19HCRTR1HCRTR2
SCHEMBL4295241 0.89 USP19 (0.35) USP19HCRTR1HCRTR2
Hydrochloric Acid SCHEMBL4292897 0.89 USP19 (0.36) USP19ALDH1A1HCRTR1HCRTR2SCD5

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 USP19 1993/4885ALDH1A1 388/4885TSHR 3226/4885
US-20090227560-A1 Substituted imidazole compound and use thereof REN, ACE, AGT USP19 1993/4885ALDH1A1 388/4885TSHR 3226/4885

“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.