SCHEMBL8235378

SCHEMBL8235378

Cc1cc(C(=O)N2CCN(C(=O)OC(C)(C)C)C[C@H]2Cc2ccc(OCC#N)cc2)c(-c2ccccc2)n1-c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ABHD6 Q9BV23 1/20 0.43
DAGLA Q9Y4D2 1/20 0.43
GPR119 Q8TDV5 2/20 0.42
NR1H2 P55055 2/20 0.40
NR1H3 Q13133 2/20 0.40
DPP4 P27487 1/20 0.38
PARP1 P09874 2/20 0.36
KAT7 O95251 1/20 0.36
YAP1 P46937 3/20 0.35
ADAM17 P78536 5/20 0.35
MMP13 P45452 3/20 0.35
PRMT5 O14744 1/20 0.35
MMP1 P03956 1/20 0.33
CCR3 P51677 1/20 0.33

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
SCHEMBL3493707 0.91 CA1 (0.35) ABHD6DAGLA
SCHEMBL3494719 0.91 ABHD6 (0.44) ABHD6DAGLANR1H2NR1H3DPP4
SCHEMBL8235365 0.88 NR1H2 (0.44) ABHD6DAGLAGPR119NR1H2NR1H3
SCHEMBL8238421 0.87 KAT7 (0.39) ABHD6DAGLAGPR119NR1H2NR1H3
SCHEMBL8238325 0.87 NR1H2 (0.44) ABHD6DAGLAGPR119NR1H2NR1H3
SCHEMBL3491920 0.85 ABHD6 (0.38) ABHD6DAGLAGPR119NR1H2NR1H3
SCHEMBL3493898 0.84 NR1H2 (0.44) ABHD6DAGLANR1H2NR1H3DPP4
SCHEMBL3496189 0.84 NR1H2 (0.46) ABHD6DAGLANR1H2NR1H3DPP4
SCHEMBL3494284 0.84 NR1H2 (0.46) ABHD6DAGLANR1H2NR1H3DPP4
SCHEMBL3492817 0.83 ABHD6 (0.38) ABHD6DAGLANR1H2NR1H3KAT7

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 ABHD6 2780/4885DAGLA 4388/4885GPR119 689/4885

“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.