SCHEMBL3492365

SCHEMBL3492365

O=C(O)N1CCN(C(=O)c2ncn(CC3(O)CCN(Cc4ccccc4)CC3)c2-c2ccccc2)[C@H](Cc2ccccc2)C1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 2/20 0.39
CA1 P00915 12/20 0.39
CA2 P00918 12/20 0.39
CA4 P22748 12/20 0.39
CA9 Q16790 12/20 0.39
CHRM3 P20309 1/20 0.38
CYP2D6 P10635 3/20 0.38
CYP3A4 P08684 1/20 0.38
TSHR P16473 1/20 0.38
CYP2C19 P33261 1/20 0.38
USP19 O94966 1/20 0.37
USP7 Q93009 2/20 0.37

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) CA1CA2CA4CA9USP19
SCHEMBL3493573 0.91 CYP3A4 (0.39) CA1CA2CA4CA9CYP2D6
SCHEMBL3495466 0.90 USP7 (0.47) CA1CA2CA4CA9USP7
SCHEMBL8238147 0.89 ABHD6 (0.43) CHRM2CA1CA2CA4CA9
SCHEMBL3493970 0.89 CA1 (0.39) CA1CA2CA4CA9USP19
SCHEMBL3493322 0.89 USP19 (0.41) CA1CA2CA4CA9USP19
SCHEMBL3491838 0.88 CA1 (0.42) CA1CA2CA4CA9USP7
SCHEMBL4983422 0.87 CA1 (0.38) CA1CA2CA4CA9USP19
SCHEMBL3492271 0.87 CA1 (0.44) CA1CA2CA4CA9
SCHEMBL4983388 0.85 CA1 (0.43) CHRM2CA1CA2CA4CA9

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 CHRM2 136/4885CA1 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.