SCHEMBL13705386

SCHEMBL13705386

O=C(c1ncn([C@H]2CCCC[C@H]2O)c1-c1ccccc1)N1CCNCC1CCc1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA1 P00915 4/20 0.38
CA2 P00918 4/20 0.38
CA4 P22748 4/20 0.38
CA9 Q16790 4/20 0.38
SLC18A3 Q16572 1/20 0.37
REN P00797 2/20 0.35
CYP2D6 P10635 1/20 0.35
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
SLC6A3 Q01959 1/20 0.35
KCNH2 Q12809 4/20 0.35
HCRTR1 O43613 2/20 0.34
HCRTR2 O43614 2/20 0.34
ALOX5 P09917 1/20 0.34
CHRM1 P11229 1/20 0.34
CYP2C9 P11712 1/20 0.34

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
SCHEMBL4293971 0.91 CA1 (0.47) CA1CA2CA4CA9SLC18A3
SCHEMBL4295394 0.91 CA1 (0.47) CA1CA2CA4CA9SLC18A3
SCHEMBL4292390 0.91 CA1 (0.47) CA1CA2CA4CA9SLC18A3
SCHEMBL4281941 0.91 CA1 (0.47) CA1CA2CA4CA9SLC18A3
SCHEMBL13705359 0.90 CA1 (0.46) CA1CA2CA4CA9SLC18A3
SCHEMBL4290619 0.90 CA1 (0.46) CA1CA2CA4CA9SLC18A3
SCHEMBL4290616 0.90 CA1 (0.46) CA1CA2CA4CA9SLC18A3
SCHEMBL4290621 0.90 CA1 (0.46) CA1CA2CA4CA9SLC18A3
SCHEMBL13705360 0.90 CA1 (0.46) CA1CA2CA4CA9SLC18A3
SCHEMBL13809416 0.90 CA1 (0.46) CA1CA2CA4CA9SLC18A3

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 1 patent. 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20090227560-A1 Substituted imidazole compound and use thereof REN, ACE, AGT CA1 2275/4885CA2 218/4885CA4 296/4885

“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.