SCHEMBL4290797

SCHEMBL4290797

COC[C@]1(O)CCCC[C@H]1n1cnc(C(=O)N2CCNC[C@H]2CCOc2ccccc2OC)c1-c1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 6/20 0.36
HCRTR2 O43614 6/20 0.36
USP19 O94966 5/20 0.36
HTR1A P08908 2/20 0.33
ADRA1D P25100 2/20 0.33
KMT2A Q03164 1/20 0.32
ADRA1A P35348 1/20 0.32
ADRA1B P35368 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HTT P42858 1/20 0.32

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
Hydrochloric Acid SCHEMBL4287829 0.95 USP19 (0.36) HCRTR1HCRTR2USP19KMT2AKDM4E
SCHEMBL4284435 0.94 HCRTR1 (0.40) HCRTR1HCRTR2USP19
SCHEMBL4281326 0.94 HCRTR1 (0.40) HCRTR1HCRTR2USP19
Hydrochloric Acid SCHEMBL4283888 0.94 USP19 (0.35) HCRTR1HCRTR2USP19
SCHEMBL4286424 0.94 HCRTR1 (0.38) HCRTR1HCRTR2USP19KDM4EALDH1A1
SCHEMBL4287688 0.94 HCRTR1 (0.37) HCRTR1HCRTR2USP19ALDH1A1
SCHEMBL4284953 0.93 USP19 (0.36) HCRTR1HCRTR2USP19KMT2AKDM4E
SCHEMBL4287174 0.93 HCRTR1 (0.39) HCRTR1HCRTR2USP19KDM4E
SCHEMBL13705406 0.93 USP19 (0.36) HCRTR1HCRTR2USP19
SCHEMBL13705408 0.93 CHEK2 (0.35) HCRTR1HCRTR2USP19KMT2AKDM4E

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 HCRTR1 3147/4885HCRTR2 3136/4885USP19 1993/4885
US-20090227560-A1 Substituted imidazole compound and use thereof REN, ACE, AGT HCRTR1 3147/4885HCRTR2 3136/4885USP19 1993/4885

“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.