SCHEMBL3504752

SCHEMBL3504752

O=C(CSC(c1ccccc1)c1ccccc1)N1CCNCC1Cc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 5/20 0.55
DPP7 Q9UHL4 2/20 0.53
CA1 P00915 2/20 0.52
CA2 P00918 2/20 0.52
CA4 P22748 2/20 0.52
CA9 Q16790 2/20 0.52
SLC6A4 P31645 5/20 0.48
SLC6A3 Q01959 5/20 0.48
SLC6A2 P23975 4/20 0.48
REN P00797 1/20 0.45

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
SCHEMBL3504750 1.00 DPP4 (0.55) DPP4DPP7CA1CA2CA4
SCHEMBL3505724 0.84 DPP4 (0.64) DPP4DPP7CA1CA2CA4
SCHEMBL3505719 0.84 DPP4 (0.64) DPP4DPP7CA1CA2CA4
SCHEMBL4657207 0.81 DPP4 (0.60) DPP4DPP7CA1CA2CA4
SCHEMBL3504330 0.81 DPP4 (0.60) DPP4DPP7CA1CA2CA4
SCHEMBL3507073 0.81 DPP4 (0.60) DPP4DPP7CA1CA2CA4
SCHEMBL3504324 0.81 DPP4 (0.60) DPP4DPP7CA1CA2CA4
SCHEMBL590923 0.80 CA1 (0.62) DPP4DPP7CA1CA2CA4
SCHEMBL28045116 0.80 CA1 (0.62) DPP4DPP7CA1CA2CA4
SCHEMBL3507642 0.79 DPP4 (0.57) DPP4DPP7CA1CA2CA4

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100210635-A1 RENIN INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-08-19 US claimed
EP-1999117-A2 RENIN INHIBITORS Takeda Pharmaceutical Company Limited (JP) 2008-12-10 EP claimed
WO-2007117961-A2 RENIN INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-10-18 WO claimed
US-20100210635-A1 RENIN INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-08-19 US disclosed
EP-1999117-A2 RENIN INHIBITORS Takeda Pharmaceutical Company Limited (JP) 2008-12-10 EP disclosed
WO-2007117961-A2 RENIN INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-10-18 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 (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-20100210635-A1 RENIN INHIBITORS REN, ACE, AGT DPP4 25/4885DPP7 34/4885CA1 1185/4885

“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.