SCHEMBL3493537

SCHEMBL3493537

Cc1cc(C(=O)N2CCN(C(=O)OC(C)(C)C)CC2C(=O)O)c(-c2ccccc2)n1-c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 2/20 0.41
MCL1 Q07820 1/20 0.41
USP30 Q70CQ3 7/20 0.40
ROCK2 O75116 1/20 0.39
TP53 P04637 3/20 0.38
THRB P10828 1/20 0.38
ALDH1A1 P00352 1/20 0.38
NOTUM Q6P988 1/20 0.38
MAPT P10636 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL13340171 0.90 LMNA (0.39) GPR119USP30ROCK2TP53THRB
SCHEMBL3492043 0.88 GPR119 (0.39) GPR119USP30ROCK2TP53THRB
SCHEMBL8236038 0.88 KAT7 (0.40) GPR119USP30ROCK2TP53THRB
SCHEMBL3491499 0.87 KAT7 (0.40) GPR119USP30ROCK2TP53THRB
SCHEMBL13340367 0.87 LMNA (0.43) GPR119TP53MEN1KMT2A
SCHEMBL13340380 0.86 USP30 (0.42) GPR119USP30ROCK2MEN1KMT2A
SCHEMBL8238421 0.86 KAT7 (0.39) GPR119USP30ROCK2TP53THRB
SCHEMBL8237200 0.86 GPR119 (0.38) GPR119USP30ROCK2TP53THRB
SCHEMBL8237796 0.86 GPR119 (0.38) GPR119USP30ROCK2TP53THRB
SCHEMBL13341218 0.86 PARP1 (0.39) GPR119USP30ROCK2TP53THRB

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
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 GPR119 689/4885MCL1 4691/4885USP30 2733/4885

“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.