SCHEMBL4286643

SCHEMBL4286643

COC[C@]1(O)CCCC[C@H]1n1cnc(C(=O)N2CCNC[C@H]2Cc2ccccn2)c1-c1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
USP19 O94966 8/20 0.37
REN P00797 2/20 0.34
CA1 P00915 2/20 0.32
CA2 P00918 2/20 0.32
CA4 P22748 2/20 0.32
CA9 Q16790 2/20 0.32
HCRTR2 O43614 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
SCHEMBL13705388 0.91 CA1 (0.40) USP19RENCA1CA2CA4
SCHEMBL4285554 0.91 CA1 (0.40) USP19RENCA1CA2CA4
SCHEMBL13705374 0.91 CA1 (0.40) USP19RENCA1CA2CA4
SCHEMBL4290116 0.91 CA1 (0.40) USP19RENCA1CA2CA4
SCHEMBL13341800 0.91 CA1 (0.40) USP19RENCA1CA2CA4
SCHEMBL13705379 0.91 USP19 (0.37) USP19RENCA1CA2CA4
Hydrochloric Acid SCHEMBL4282778 0.91 CA1 (0.40) USP19RENCA1CA2CA4
Hydrochloric Acid SCHEMBL4290299 0.91 CA1 (0.40) USP19RENCA1CA2CA4
Hydrochloric Acid SCHEMBL4282181 0.91 CA1 (0.40) USP19RENCA1CA2CA4
Hydrochloric Acid SCHEMBL4287593 0.91 CA1 (0.40) USP19RENCA1CA2CA4

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 1993/4885REN 1/4885CA1 2275/4885
US-20090227560-A1 Substituted imidazole compound and use thereof REN, ACE, AGT USP19 1993/4885REN 1/4885CA1 2275/4885

“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.