SCHEMBL3493519

SCHEMBL3493519

O=C(O)N1CCN(Cc2ccccc2)C[C@H]1C=CC1CC1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AGTR2 P50052 1/20 0.50
HDAC8 Q9BY41 1/20 0.49
ALDH1A1 P00352 4/20 0.45
SMN1; SMN2 Q16637 1/20 0.44
BCHE P06276 3/20 0.43
ACHE P22303 2/20 0.43
BACE1 P56817 2/20 0.43
KDM4E B2RXH2 2/20 0.43
HPGD P15428 1/20 0.43
SIGMAR1 Q99720 1/20 0.42
CYP2D6 P10635 2/20 0.42
S1PR5 Q9H228 1/20 0.42
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
CA4 P22748 2/20 0.42
CA9 Q16790 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C19 P33261 1/20 0.42

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
SCHEMBL3493515 1.00 AGTR2 (0.50) AGTR2HDAC8ALDH1A1SMN1; SMN2BCHE
SCHEMBL3493181 0.85 AGTR2 (0.55) AGTR2ALDH1A1SMN1; SMN2KDM4EHPGD
SCHEMBL8235844 0.84 GPR119 (0.42) AGTR2HDAC8BCHEACHE
SCHEMBL3491903 0.80 CYP3A4 (0.47) AGTR2ALDH1A1SMN1; SMN2KDM4ESIGMAR1
SCHEMBL3491909 0.80 CYP3A4 (0.47) AGTR2ALDH1A1SMN1; SMN2KDM4ESIGMAR1
SCHEMBL4281674 0.80 L3MBTL1 (0.47) AGTR2ALDH1A1SMN1; SMN2KDM4ESIGMAR1
SCHEMBL4281677 0.80 L3MBTL1 (0.47) AGTR2ALDH1A1SMN1; SMN2KDM4ESIGMAR1
SCHEMBL14645770 0.75 MGLL (0.56) AGTR2ALDH1A1ACHESIGMAR1
SCHEMBL3496353 0.74 SIGMAR1 (0.54) AGTR2ALDH1A1SIGMAR1CA1CA2
SCHEMBL28429511 0.74 SIGMAR1 (0.54) AGTR2ALDH1A1SIGMAR1CA1CA2

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-20090227560-A1 Substituted imidazole compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-09-10 US disclosed
US-20090156612-A1 Substituted imidazole compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-18 US disclosed
WO-2008139941-A1 SUBSTITUTED IMIDAZOLE COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-11-20 WO 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 (3 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 AGTR2 3/4885HDAC8 479/4885ALDH1A1 1062/4885
US-20090156612-A1 Substituted imidazole compound and use thereof REN, ACE, AGT AGTR2 5/4885HDAC8 168/4885ALDH1A1 388/4885
US-20090227560-A1 Substituted imidazole compound and use thereof REN, ACE, AGT AGTR2 5/4885HDAC8 168/4885ALDH1A1 388/4885

“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.