SCHEMBL3495466

SCHEMBL3495466

O=C(O)N1CCN(C(=O)c2ncn(CC3(O)CCN(C(=O)c4ccccc4)CC3)c2-c2ccccc2)[C@H](Cc2ccccc2)C1

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
USP7 Q93009 5/20 0.47
CA1 P00915 14/20 0.45
CA2 P00918 14/20 0.45
CA4 P22748 14/20 0.45
CA9 Q16790 14/20 0.45
ABCB1 P08183 1/20 0.40

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
SCHEMBL4290397 0.91 CA1 (0.40) USP7CA1CA2CA4CA9
SCHEMBL3493603 0.91 CA1 (0.43) USP7CA1CA2CA4CA9
SCHEMBL3492365 0.90 CHRM2 (0.39) USP7CA1CA2CA4CA9
SCHEMBL8236128 0.89 ABHD6 (0.43) USP7CA1CA2CA4CA9
SCHEMBL3493322 0.89 USP19 (0.41) USP7CA1CA2CA4CA9
SCHEMBL3493970 0.89 CA1 (0.39) USP7CA1CA2CA4CA9
SCHEMBL3491838 0.88 CA1 (0.42) USP7CA1CA2CA4CA9
SCHEMBL4983422 0.87 CA1 (0.38) USP7CA1CA2CA4CA9
SCHEMBL3492271 0.87 CA1 (0.44) CA1CA2CA4CA9
SCHEMBL3493481 0.85 CA1 (0.37) USP7CA1CA2CA4CA9

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-20100121048-A1 Cyclic Amine Compound and Use Thereof for the Prophylaxis or Treatment of Hypertension TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-05-13 US disclosed
EP-1984355-A2 CYCLIC AMINE COMPOUND AND USE THEREOF FOR THE PROPHYLAXIS OR TREATMENT OF HYPERTENSION Takeda Pharmaceutical Company Limited (JP) 2008-10-29 EP disclosed
WO-2007094513-A2 CYCLIC AMINE COMPOUND AND USE THEREOF FOR THE PROPHYLAXIS OR TREATMENT OF HYPERTENSION TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-08-23 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-20100121048-A1 Cyclic Amine Compound and Use Thereof for the Prophylaxis or Treatment of Hypertension REN, AGTR1, AGTR2 USP7 1774/4885CA1 2606/4885CA2 1023/4885

“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.