SCHEMBL3494598

SCHEMBL3494598

Cc1cc(C(=O)N2CCN(C(=O)O)C[C@H]2Cc2ccccc2)c(-c2ccccc2)n1-c1cccc(OCCCS(C)(=O)=O)c1

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CA1 P00915 14/20 0.39
CA2 P00918 14/20 0.39
CA4 P22748 14/20 0.39
CA9 Q16790 14/20 0.39
NR1H2 P55055 2/20 0.38
NR1H3 Q13133 2/20 0.38
NOTUM Q6P988 1/20 0.36
FFAR1 O14842 3/20 0.36

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
SCHEMBL3495943 0.92 NR1H2 (0.46) CA1CA2CA4CA9NR1H2
SCHEMBL3492462 0.87 REN (0.45) CA1CA2CA4CA9NOTUM
SCHEMBL3495311 0.86 NOTUM (0.38) CA1CA2CA4CA9NR1H2
SCHEMBL3492931 0.85 SPHK2 (0.40) CA1CA2CA4CA9NOTUM
SCHEMBL5141229 0.84 CA1 (0.42) CA1CA2CA4CA9NR1H2
SCHEMBL3494390 0.84 REN (0.35) CA1CA2CA4CA9NOTUM
SCHEMBL3495949 0.84 NOTUM (0.35) NR1H2NR1H3NOTUMFFAR1
SCHEMBL3495945 0.84 NOTUM (0.34) NOTUMFFAR1
SCHEMBL3494880 0.83 CA1 (0.41) CA1CA2CA4CA9
SCHEMBL3492546 0.83 CA1 (0.40) CA1CA2CA4CA9NR1H2

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-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

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 CA1 2606/4885CA2 1023/4885CA4 1470/4885

“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.