SCHEMBL3493686

SCHEMBL3493686

O=C(O)N1CCN(C(=O)c2ncn([C@@H](CO)Cc3ccccc3)c2-c2ccccc2)[C@H](Cc2ccccc2)C1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CA1 P00915 17/20 0.41
CA2 P00918 17/20 0.41
CA4 P22748 17/20 0.41
CA9 Q16790 17/20 0.41
SCD5 Q86SK9 1/20 0.37
ABCB1 P08183 1/20 0.34
ABL1 P00519 1/20 0.34
EGFR P00533 1/20 0.34
ABL2 P42684 1/20 0.34

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
SCHEMBL3494090 0.90 CA1 (0.39) CA1CA2CA4CA9SCD5
SCHEMBL8235524 0.89 ABHD6 (0.46) CA1CA2CA4CA9
SCHEMBL3493244 0.85 CA1 (0.39) CA1CA2CA4CA9SCD5
SCHEMBL3493248 0.85 CA1 (0.39) CA1CA2CA4CA9SCD5
SCHEMBL3492636 0.83 CA1 (0.40) CA1CA2CA4CA9SCD5
SCHEMBL3495347 0.83 CA1 (0.41) CA1CA2CA4CA9ABCB1
SCHEMBL3496629 0.83 CA1 (0.40) CA1CA2CA4CA9SCD5
SCHEMBL3492635 0.83 CA1 (0.40) CA1CA2CA4CA9SCD5
SCHEMBL3496631 0.83 CA1 (0.40) CA1CA2CA4CA9SCD5
SCHEMBL3492483 0.82 CA1 (0.39) CA1CA2CA4CA9ABCB1

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.