SCHEMBL3493529

SCHEMBL3493529

Cc1cc(C(=O)N2CCN(Cc3ccccc3)C[C@H]2Cc2ccc(OCC(=O)O)cc2)c(-c2ccccc2)n1-c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.43
CA2 P00918 2/20 0.43
CA4 P22748 2/20 0.43
CA9 Q16790 2/20 0.43
FAAH O00519 2/20 0.38
BCHE P06276 2/20 0.38
ACHE P22303 2/20 0.38
PTGDR2 Q9Y5Y4 2/20 0.38
MAPK1 P28482 1/20 0.38
CCR1 P32246 1/20 0.38
ITGB3 P05106 1/20 0.38
ITGA2B P08514 1/20 0.38
DPP4 P27487 1/20 0.37
DPP7 Q9UHL4 1/20 0.37
SIGMAR1 Q99720 1/20 0.37
NR4A1 P22736 1/20 0.37
APEX1 P27695 1/20 0.37
ROCK1 Q13464 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
MCHR1 Q99705 1/20 0.36

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
SCHEMBL3492305 1.00 CA1 (0.43) CA1CA2CA4CA9FAAH
Hydrochloric Acid SCHEMBL3494725 0.99 CA1 (0.43) CA1CA2CA4CA9FAAH
SCHEMBL3495395 0.94 CA1 (0.44) CA1CA2CA4CA9FAAH
SCHEMBL8238745 0.92 CA1 (0.41) CA1CA2CA4CA9FAAH
SCHEMBL3495697 0.92 CA1 (0.41) CA1CA2CA4CA9FAAH
SCHEMBL13340445 0.91 CA1 (0.40) CA1CA2CA4CA9FAAH
SCHEMBL8239159 0.90 CA1 (0.43) CA1CA2CA4CA9FAAH
SCHEMBL3491821 0.88 CA1 (0.47) CA1CA2CA4CA9BCHE
SCHEMBL3493495 0.88 CA1 (0.47) CA1CA2CA4CA9BCHE
SCHEMBL3494635 0.88 ACHE (0.44) CA1CA2CA4CA9FAAH

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 4 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
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.