SCHEMBL13368246

SCHEMBL13368246

Cc1cc(C(=O)N2CCNC[C@H]2Cc2ccccc2)c(-c2cccc(OCC(=O)O)c2)n1C1=CC=CCC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
REN P00797 2/20 0.40
HCRTR1 O43613 1/20 0.39
HCRTR2 O43614 1/20 0.39
CYP3A4 P08684 1/20 0.39
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
CA4 P22748 2/20 0.38
CA9 Q16790 2/20 0.38
DPP4 P27487 3/20 0.33
DPP7 Q9UHL4 2/20 0.33
TRPV1 Q8NER1 1/20 0.33
FABP4 P15090 2/20 0.33
FABP5 Q01469 2/20 0.33
SLC6A4 P31645 2/20 0.32
SLC6A3 Q01959 2/20 0.32
PLA2G10 O15496 1/20 0.32
PLA2G2A P14555 1/20 0.32
SLC6A2 P23975 1/20 0.32
PTGDR2 Q9Y5Y4 1/20 0.32
RECQL P46063 1/20 0.32

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
SCHEMBL13368327 0.90 CA1 (0.44) RENHCRTR1HCRTR2CYP3A4CA1
SCHEMBL3492647 0.88 REN (0.50) RENHCRTR1HCRTR2CYP3A4CA1
SCHEMBL8235963 0.81 REN (0.51) RENHCRTR1HCRTR2CYP3A4CA1
SCHEMBL13368235 0.81 HCRTR1 (0.35) RENHCRTR1HCRTR2CYP3A4CA1
Hydrochloric Acid SCHEMBL3492523 0.80 REN (0.50) RENHCRTR1HCRTR2CYP3A4CA1
SCHEMBL13368237 0.80 HCRTR1 (0.34) RENHCRTR1HCRTR2CYP3A4CA1
SCHEMBL3495062 0.80 REN (0.47) RENHCRTR1HCRTR2CYP3A4CA1
SCHEMBL8236184 0.76 HCRTR1 (0.53) RENHCRTR1HCRTR2CYP3A4CA1
Hydrochloric Acid SCHEMBL3494081 0.75 HCRTR1 (0.52) RENHCRTR1HCRTR2CYP3A4CA1
Hydrochloric Acid SCHEMBL4984048 0.75 HCRTR1 (0.42) RENHCRTR1HCRTR2CYP3A4CA1

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 1 patent. 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

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 REN 1/4885HCRTR1 323/4885HCRTR2 255/4885

“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.