SCHEMBL8239010

SCHEMBL8239010

CC(C)C(=O)[C@@H]1CN(Cc2ccccc2)CCN1C(=O)OC(C)(C)C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AGTR2 P50052 1/20 0.50
GPR119 Q8TDV5 1/20 0.44
NR1H2 P55055 2/20 0.42
NR1H3 Q13133 2/20 0.42
KLK7 P49862 1/20 0.41
DPP4 P27487 1/20 0.41
DPP7 Q9UHL4 1/20 0.41
TACR1 P25103 2/20 0.41
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
CA4 P22748 2/20 0.40
CA9 Q16790 2/20 0.40
MMP1 P03956 1/20 0.40
MMP3 P08254 1/20 0.40
MMP7 P09237 1/20 0.40
MMP9 P14780 1/20 0.40
MMP13 P45452 1/20 0.40
PARP1 P09874 1/20 0.40
TP53 P04637 1/20 0.40
THRB P10828 1/20 0.40

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
SCHEMBL1634212 0.89 AGTR2 (0.60) AGTR2GPR119NR1H2NR1H3KLK7
SCHEMBL565036 0.89 AGTR2 (0.60) AGTR2GPR119NR1H2NR1H3KLK7
SCHEMBL1393680 0.85 NR1H2 (0.52) AGTR2GPR119NR1H2NR1H3KLK7
SCHEMBL1635510 0.85 NR1H2 (0.52) AGTR2GPR119NR1H2NR1H3KLK7
SCHEMBL17376945 0.84 NR1H2 (0.48) AGTR2GPR119NR1H2NR1H3DPP4
SCHEMBL14085916 0.84 NR1H3 (0.51) AGTR2GPR119NR1H2NR1H3TACR1
SCHEMBL2017921 0.83 NR1H2 (0.46) AGTR2GPR119NR1H2NR1H3DPP4
SCHEMBL4709100 0.83 NR1H2 (0.46) AGTR2GPR119NR1H2NR1H3DPP4
SCHEMBL4709252 0.83 NR1H2 (0.46) AGTR2GPR119NR1H2NR1H3DPP4
SCHEMBL14160138 0.83 AGTR2 (0.46) AGTR2GPR119NR1H2NR1H3TACR1

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
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
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 AGTR2 3/4885GPR119 689/4885NR1H2 339/4885

“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.