SCHEMBL3493063

SCHEMBL3493063

O=C(O)C(=O)N1CCN(Cc2ccccc2)C[C@H]1Cc1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA1 P00915 4/20 0.61
CA2 P00918 4/20 0.61
CA4 P22748 4/20 0.61
CA9 Q16790 4/20 0.61
DPP4 P27487 1/20 0.55
DPP7 Q9UHL4 1/20 0.55
ROCK1 Q13464 1/20 0.52
AGTR2 P50052 1/20 0.50
ALDH1A1 P00352 2/20 0.48
MC4R P32245 2/20 0.46
MC3R P41968 2/20 0.46
MC1R Q01726 2/20 0.46
SIGMAR1 Q99720 1/20 0.46
ABCB1 P08183 1/20 0.46
KDM4E B2RXH2 1/20 0.46

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
SCHEMBL3494525 0.89 CA1 (0.63) CA1CA2CA4CA9DPP4
SCHEMBL2753820 0.86 CA1 (0.64) CA1CA2CA4CA9DPP4
SCHEMBL5539406 0.86 CA1 (0.61) CA1CA2CA4CA9DPP4
SCHEMBL5539410 0.86 CA1 (0.61) CA1CA2CA4CA9DPP4
SCHEMBL3492662 0.86 CA1 (0.58) CA1CA2CA4CA9DPP4
SCHEMBL13341229 0.84 L3MBTL1 (0.54) CA1CA2CA4CA9DPP4
SCHEMBL14265355 0.84 DPP4 (0.59) CA1CA2CA4CA9DPP4
SCHEMBL3495202 0.83 CA2 (0.57) CA1CA2CA4CA9DPP4
SCHEMBL4287508 0.82 CA1 (0.56) CA1CA2CA4CA9DPP4
SCHEMBL13225693 0.81 CA2 (0.55) CA1CA2CA4CA9DPP4

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 CA1 2606/4885CA2 1023/4885CA4 1470/4885

“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.