SCHEMBL3495259

SCHEMBL3495259

Cc1cc(C(=O)N2CCN(Cc3ccccc3)C[C@H]2Cc2ccccc2)c(-c2ccccc2)n1-c1cccc(N2CCCCC2)c1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA1 P00915 4/20 0.45
CA2 P00918 4/20 0.45
CA4 P22748 4/20 0.45
CA9 Q16790 4/20 0.45
EZH2 Q15910 1/20 0.40
DPP4 P27487 1/20 0.38
DPP7 Q9UHL4 1/20 0.38
ROCK1 Q13464 1/20 0.38
NR1H2 P55055 2/20 0.37
NR1H3 Q13133 2/20 0.37
HCRTR1 O43613 1/20 0.37
HCRTR2 O43614 1/20 0.37
CYP3A4 P08684 1/20 0.37
HTR2A P28223 1/20 0.37
HTR2C P28335 1/20 0.37
SLC6A4 P31645 1/20 0.37
DRD2 P14416 1/20 0.37
DRD3 P35462 1/20 0.37
KIF11 P52732 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
SCHEMBL3493619 0.93 CA1 (0.44) CA1CA2CA4CA9DPP4
SCHEMBL5171411 0.92 CA1 (0.43) CA1CA2CA4CA9DPP4
SCHEMBL3494779 0.92 CA1 (0.43) CA1CA2CA4CA9DPP4
SCHEMBL3494379 0.92 CA1 (0.43) CA1CA2CA4CA9EZH2
SCHEMBL3494084 0.92 CA1 (0.43) CA1CA2CA4CA9DPP4
SCHEMBL3495194 0.92 CA1 (0.43) CA1CA2CA4CA9DPP4
SCHEMBL3494349 0.91 CA1 (0.43) CA1CA2CA4CA9DPP4
SCHEMBL3494591 0.91 CA1 (0.43) CA1CA2CA4CA9DPP4
SCHEMBL3491816 0.91 CA1 (0.42) CA1CA2CA4CA9DPP4
SCHEMBL3494899 0.90 CA1 (0.44) CA1CA2CA4CA9DPP4

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 6 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
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
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
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.