SCHEMBL4288560

SCHEMBL4288560

O=C(c1ncn(C2CCCCC2)c1-c1ccccc1)N1CCNC[C@H]1CC1CCCCC1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
CA4 P22748 2/20 0.36
CA9 Q16790 2/20 0.36
CYP2D6 P10635 1/20 0.35
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
SLC6A3 Q01959 1/20 0.35
HSD17B10 Q99714 1/20 0.35
GAA P10253 1/20 0.35
CNR1 P21554 1/20 0.34
TACR1 P25103 1/20 0.34
HCRTR1 O43613 2/20 0.33
HCRTR2 O43614 2/20 0.33
REN P00797 2/20 0.33
ATM Q13315 1/20 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
SCHEMBL4293107 0.89 CA1 (0.48) CA1CA2CA4CA9SLC6A2
SCHEMBL4293038 0.89 CA1 (0.48) CA1CA2CA4CA9SLC6A2
SCHEMBL4294331 0.88 CA1 (0.48) CA1CA2CA4CA9SLC6A2
SCHEMBL4287286 0.86 HCRTR2 (0.38) CA1CA2CA4CA9CNR1
Hydrochloric Acid SCHEMBL4286205 0.85 HCRTR1 (0.44) HCRTR1HCRTR2REN
Hydrochloric Acid SCHEMBL4294062 0.84 CKS1B (0.40) CA1CA2CA4CA9HCRTR1
Hydrochloric Acid SCHEMBL4281647 0.84 HCRTR1 (0.46) CA1CA2CA4CA9CNR1
Hydrochloric Acid SCHEMBL4281286 0.84 ABHD6 (0.41) CA1CA2CA4CA9REN
SCHEMBL8114589 0.83 CA1 (0.38) CA1CA2CA4CA9HCRTR1
Hydrochloric Acid SCHEMBL4285612 0.82 USP19 (0.38) HCRTR1HCRTR2

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 3 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
WO-2008139941-A1 SUBSTITUTED IMIDAZOLE COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-11-20 WO 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 CA1 2275/4885CA2 218/4885CA4 296/4885
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.