SCHEMBL3494809

SCHEMBL3494809

Cc1ccc(C[C@@H]2CNCCN2C(=O)c2ncn(-c3cccc(N4CCOCC4)c3)c2-c2ccccc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 10/20 0.43
HCRTR2 O43614 10/20 0.43
CYP3A4 P08684 5/20 0.43
REN P00797 2/20 0.41
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
CA4 P22748 2/20 0.38
CA9 Q16790 2/20 0.38
ATM Q13315 3/20 0.38
CPT1A P50416 1/20 0.37
KIF11 P52732 2/20 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
SCHEMBL3492277 0.95 CA1 (0.43) HCRTR1HCRTR2CYP3A4RENCA1
Hydrochloric Acid SCHEMBL3493933 0.94 CA1 (0.42) HCRTR1HCRTR2CYP3A4RENCA1
SCHEMBL3494487 0.93 CA1 (0.42) HCRTR1HCRTR2CYP3A4RENCA1
SCHEMBL5140406 0.87 CPT1A (0.38) HCRTR1HCRTR2CYP3A4RENCPT1A
SCHEMBL3495628 0.87 CPT1A (0.38) HCRTR1HCRTR2CYP3A4RENCPT1A
SCHEMBL3493187 0.83 CPT1A (0.36) RENATMCPT1A
SCHEMBL3492321 0.83 PTGS2 (0.42) RENCA1CA2CA4CA9
SCHEMBL3493643 0.82 KIF11 (0.40) ATMKIF11
SCHEMBL3491841 0.79 HCRTR1 (0.47) HCRTR1HCRTR2CYP3A4RENCA1
SCHEMBL3494453 0.79 HCRTR1 (0.37) HCRTR1HCRTR2CYP3A4CA1CA2

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 5 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

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 HCRTR1 323/4885HCRTR2 255/4885CYP3A4 1555/4885

“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.