SCHEMBL3491471

SCHEMBL3491471

O=C(O)N1CCN(C(=O)c2ncn([C@H]3CCN(Cc4ccccc4)C3)c2-c2ccccc2)[C@H](Cc2ccccc2)C1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CA1 P00915 12/20 0.42
CA2 P00918 12/20 0.42
CA4 P22748 12/20 0.42
CA9 Q16790 12/20 0.42
EGFR P00533 1/20 0.40
JAK2 O60674 1/20 0.39
JAK1 P23458 1/20 0.39
TYK2 P29597 1/20 0.39
JAK3 P52333 1/20 0.39
ACHE P22303 1/20 0.39
ROCK1 Q13464 1/20 0.38
DRD2 P14416 2/20 0.38
DRD4 P21917 2/20 0.38
DRD3 P35462 2/20 0.38

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
SCHEMBL3491960 1.00 CA1 (0.42) CA1CA2CA4CA9EGFR
SCHEMBL3492130 1.00 CA1 (0.42) CA1CA2CA4CA9EGFR
SCHEMBL13340905 0.89 ABHD6 (0.45) CA1CA2CA4CA9EGFR
SCHEMBL8230155 0.89 ABHD6 (0.45) CA1CA2CA4CA9EGFR
SCHEMBL8235741 0.89 ABHD6 (0.45) CA1CA2CA4CA9EGFR
SCHEMBL3495075 0.88 CA1 (0.49) CA1CA2CA4CA9
SCHEMBL3495117 0.88 CA1 (0.48) CA1CA2CA4CA9
SCHEMBL3493884 0.88 CA1 (0.41) CA1CA2CA4CA9
SCHEMBL4281780 0.88 CA1 (0.42) CA1CA2CA4CA9
SCHEMBL3493941 0.87 KDM2B (0.39) CA1CA2CA4CA9

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 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.