SCHEMBL4287286

SCHEMBL4287286

CC(C)(O)CC1CNCCN1C(=O)c1ncn(C2CCCCC2)c1-c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HCRTR2 O43614 5/20 0.38
CA1 P00915 2/20 0.34
CA2 P00918 2/20 0.34
CA4 P22748 2/20 0.34
CA9 Q16790 2/20 0.34
CNR1 P21554 1/20 0.34
HCRTR1 O43613 2/20 0.34
REN P00797 2/20 0.33
PIM1 P11309 1/20 0.33
PIM2 Q9P1W9 1/20 0.33
USP19 O94966 1/20 0.33
LMNA P02545 1/20 0.32
L3MBTL1 Q9Y468 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
SCHEMBL4293038 0.86 CA1 (0.48) HCRTR2CA1CA2CA4CA9
SCHEMBL4293107 0.86 CA1 (0.48) HCRTR2CA1CA2CA4CA9
SCHEMBL4288560 0.86 CA1 (0.36) HCRTR2CA1CA2CA4CA9
SCHEMBL4294331 0.85 CA1 (0.48) HCRTR2CA1CA2CA4CA9
Hydrochloric Acid SCHEMBL4286205 0.83 HCRTR1 (0.44) HCRTR2HCRTR1REN
Hydrochloric Acid SCHEMBL4281647 0.82 HCRTR1 (0.46) HCRTR2CA1CA2CA4CA9
Hydrochloric Acid SCHEMBL4294062 0.82 CKS1B (0.40) HCRTR2CA1CA2CA4CA9
Hydrochloric Acid SCHEMBL4281286 0.82 ABHD6 (0.41) CA1CA2CA4CA9REN
SCHEMBL4282567 0.80 CA1 (0.39) HCRTR2CA1CA2CA4CA9
SCHEMBL8114589 0.79 CA1 (0.38) HCRTR2CA1CA2CA4CA9

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 HCRTR2 3136/4885CA1 2275/4885CA2 218/4885
US-20090227560-A1 Substituted imidazole compound and use thereof REN, ACE, AGT HCRTR2 3136/4885CA1 2275/4885CA2 218/4885

“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.