SCHEMBL8239198

SCHEMBL8239198

CC(C)(C)OC(=O)N1CCN(C(=O)c2ncn(C3CCCN(c4ccccc4)C3)c2-c2ccccc2)[C@H](Cc2ccccc2)C1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 2/20 0.44
NR1H3 Q13133 2/20 0.44
ABHD6 Q9BV23 1/20 0.44
DAGLA Q9Y4D2 1/20 0.44
PARP1 P09874 1/20 0.40
DPP4 P27487 1/20 0.40
GPR119 Q8TDV5 1/20 0.39
EGFR P00533 1/20 0.38
SRC P12931 1/20 0.38
HDAC1 Q13547 1/20 0.38
HPGDS O60760 2/20 0.38
CKS1B P61024 1/20 0.37
SKP1 P63208 1/20 0.37
SKP2 Q13309 1/20 0.37
USP30 Q70CQ3 2/20 0.36
PRMT5 O14744 2/20 0.36
PIK3CD O00329 1/20 0.36
PIK3R2 O00459 1/20 0.36
PIK3CA P42336 1/20 0.36
PIK3CB P42338 1/20 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
SCHEMBL8237717 0.93 NR1H2 (0.48) NR1H2NR1H3ABHD6DAGLAGPR119
SCHEMBL13341152 0.92 GPR119 (0.43) NR1H2NR1H3ABHD6DAGLAPARP1
SCHEMBL8230171 0.91 ABHD6 (0.45) NR1H2NR1H3ABHD6DAGLAPARP1
SCHEMBL13705167 0.91 ABHD6 (0.47) NR1H2NR1H3ABHD6DAGLAPARP1
SCHEMBL8235955 0.90 ABHD6 (0.44) ABHD6DAGLAPARP1DPP4EGFR
SCHEMBL3493179 0.89 MC4R (0.39) PIK3CDPIK3R2PIK3CAPIK3CBPIK3CG
SCHEMBL8240230 0.89 ABHD6 (0.43) NR1H2NR1H3ABHD6DAGLAPARP1
SCHEMBL8239273 0.89 PARP1 (0.49) NR1H2NR1H3ABHD6DAGLAPARP1
SCHEMBL13341129 0.88 ABHD6 (0.43) NR1H2NR1H3ABHD6DAGLAPARP1
SCHEMBL13341101 0.88 ABHD6 (0.45) NR1H2NR1H3ABHD6DAGLAPARP1

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 2 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
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 NR1H2 339/4885NR1H3 293/4885ABHD6 2780/4885

“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.