SCHEMBL13340709

SCHEMBL13340709

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

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AGTR2 P50052 1/20 0.44
GPR119 Q8TDV5 1/20 0.43
NR1H3 Q13133 5/20 0.42
NR1H2 P55055 4/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
TACR1 P25103 2/20 0.40
HTRA1 Q92743 1/20 0.40
BCHE P06276 2/20 0.40
MAOB P27338 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
SCHEMBL14160138 0.91 AGTR2 (0.46) AGTR2GPR119NR1H3NR1H2TACR1
SCHEMBL14085916 0.90 NR1H3 (0.51) AGTR2GPR119NR1H3NR1H2TACR1
SCHEMBL6337504 0.88 AGTR2 (0.50) AGTR2GPR119NR1H3NR1H2MEN1
SCHEMBL6337507 0.88 AGTR2 (0.50) AGTR2GPR119NR1H3NR1H2MEN1
SCHEMBL12845090 0.87 AGTR2 (0.46) AGTR2GPR119NR1H3NR1H2BCHE
SCHEMBL8120986 0.86 GPR119 (0.45) AGTR2GPR119NR1H3NR1H2BCHE
SCHEMBL13340712 0.86 GPR119 (0.45) AGTR2GPR119NR1H3NR1H2BCHE
SCHEMBL3493253 0.85 AGTR2 (0.50) AGTR2MEN1KMT2ATACR1BCHE
SCHEMBL4367565 0.84 JAK2 (0.40) AGTR2GPR119NR1H3NR1H2BCHE
SCHEMBL4372410 0.84 JAK2 (0.40) AGTR2GPR119NR1H3NR1H2BCHE

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
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

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 689/4885NR1H3 293/4885

“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.