SCHEMBL3494635

SCHEMBL3494635

Cc1cc(C(=O)N2CCN(Cc3ccccc3)CC2Cc2ccc(OCC(=O)NCCC(N)=O)cc2)c(-c2ccccc2)n1-c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ACHE P22303 13/20 0.44
FAAH O00519 11/20 0.44
BCHE P06276 6/20 0.44
CA1 P00915 2/20 0.40
CA2 P00918 2/20 0.40
CA4 P22748 2/20 0.40
CA9 Q16790 2/20 0.40
LTA4H P09960 1/20 0.37
EPHX2 P34913 1/20 0.37
MCHR1 Q99705 1/20 0.36
SMN1; SMN2 Q16637 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
SCHEMBL3495395 0.91 CA1 (0.44) ACHEFAAHBCHECA1CA2
SCHEMBL3493529 0.88 CA1 (0.43) ACHEFAAHBCHECA1CA2
SCHEMBL3492305 0.88 CA1 (0.43) ACHEFAAHBCHECA1CA2
Hydrochloric Acid SCHEMBL3494725 0.87 CA1 (0.43) ACHEFAAHBCHECA1CA2
SCHEMBL8239159 0.87 CA1 (0.43) ACHEFAAHBCHECA1CA2
SCHEMBL8238745 0.85 CA1 (0.41) ACHEFAAHBCHECA1CA2
SCHEMBL3495697 0.85 CA1 (0.41) ACHEFAAHBCHECA1CA2
SCHEMBL13340445 0.84 CA1 (0.40) ACHEFAAHBCHECA1CA2
SCHEMBL3494825 0.82 CA1 (0.51) CA1CA2CA4CA9
SCHEMBL3494256 0.82 CHRM4 (0.44) CA1CA2CA4CA9

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 ACHE 1245/4885FAAH 726/4885BCHE 256/4885

“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.