SCHEMBL4288010

SCHEMBL4288010

O=C(c1ccccc1Cc1ccccc1)N1CCNCC1Cc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.58
CA2 P00918 2/20 0.58
CA4 P22748 2/20 0.58
CA9 Q16790 2/20 0.58
DPP4 P27487 5/20 0.53
REN P00797 2/20 0.50
DPP7 Q9UHL4 2/20 0.49
SLC6A4 P31645 5/20 0.49
SLC6A3 Q01959 5/20 0.49
SLC6A2 P23975 4/20 0.49
HCRTR1 O43613 1/20 0.46
HCRTR2 O43614 1/20 0.46
CYP3A4 P08684 1/20 0.46
SCN1A P35498 1/20 0.42
SCN2A Q99250 1/20 0.42
SCN3A Q9NY46 1/20 0.42
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 0.41
HTR2B P41595 1/20 0.41

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
SCHEMBL4288007 1.00 CA1 (0.58) CA1CA2CA4CA9DPP4
SCHEMBL4283232 0.86 CA1 (0.61) CA1CA2CA4CA9DPP4
SCHEMBL4283239 0.86 CA1 (0.61) CA1CA2CA4CA9DPP4
SCHEMBL4281205 0.83 CA1 (0.58) CA1CA2CA4CA9DPP4
SCHEMBL4281201 0.83 CA1 (0.58) CA1CA2CA4CA9DPP4
SCHEMBL27563025 0.82 CA1 (0.57) CA1CA2CA4CA9DPP4
SCHEMBL27563026 0.82 CA1 (0.57) CA1CA2CA4CA9DPP4
SCHEMBL3505558 0.81 DPP4 (0.57) CA1CA2CA4CA9DPP4
SCHEMBL3505555 0.81 DPP4 (0.57) CA1CA2CA4CA9DPP4
SCHEMBL590923 0.81 CA1 (0.62) CA1CA2CA4CA9DPP4

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-20090105251-A1 Renin inhibitors TAKEDA SAN DIEGO, INC. 2009-04-23 US claimed
US-20090105251-A1 Renin inhibitors TAKEDA SAN DIEGO, INC. 2009-04-23 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-20090105251-A1 Renin inhibitors REN, ACE, AGT CA1 1185/4885CA2 275/4885CA4 379/4885

“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.