SCHEMBL4292401

SCHEMBL4292401

COC[C@]1(O)CCCC[C@H]1n1cnc(C(=O)N2CCNC[C@H]2COC(=O)Nc2ccccc2)c1-c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
USP19 O94966 1/20 0.39
TSHR P16473 1/20 0.36
HTT P42858 1/20 0.36
CHRNA7 P36544 2/20 0.35
KCNH2 Q12809 1/20 0.34
BCHE P06276 2/20 0.34
ACHE P22303 1/20 0.33
MAOB P27338 1/20 0.33
CHRM3 P20309 2/20 0.33

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 SCHEMBL4289048 0.93 USP19 (0.35) USP19TSHRHTTKCNH2CHRM3
SCHEMBL4288849 0.91 HCRTR1 (0.40) USP19HTTCHRNA7KCNH2
Hydrochloric Acid SCHEMBL4283476 0.88 USP19 (0.41) USP19CHRNA7KCNH2
SCHEMBL4284841 0.88 USP19 (0.40) USP19
SCHEMBL4281275 0.88 USP19 (0.37) USP19
SCHEMBL4281614 0.87 USP19 (0.40) USP19
SCHEMBL13341800 0.87 CA1 (0.40) USP19
SCHEMBL13705374 0.87 CA1 (0.40) USP19
SCHEMBL4285554 0.87 CA1 (0.40) USP19
SCHEMBL4291024 0.87 USP19 (0.39) USP19

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 1993/4885TSHR 3226/4885HTT 4390/4885
US-20090227560-A1 Substituted imidazole compound and use thereof REN, ACE, AGT USP19 1993/4885TSHR 3226/4885HTT 4390/4885

“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.