SCHEMBL3495697

SCHEMBL3495697

Cc1cc(C(=O)N2CCN(Cc3ccccc3)CC2Cc2ccc(OCC(=O)O)cc2)c(-c2ccccc2)n1-c1ccccc1.Cc1cc(C(=O)N2CCN(Cc3ccccc3)C[C@H]2Cc2ccc(OCC(=O)NS(C)(=O)=O)cc2)c(-c2ccccc2)n1-c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.41
CA2 P00918 3/20 0.41
CA4 P22748 3/20 0.41
CA9 Q16790 3/20 0.41
ACHE P22303 9/20 0.38
FAAH O00519 8/20 0.38
BCHE P06276 4/20 0.38
MCHR1 Q99705 1/20 0.36
ALDH1A1 P00352 2/20 0.35
POLB P06746 2/20 0.35
LMNA P02545 1/20 0.35
KMT2A Q03164 1/20 0.35
DPP4 P27487 2/20 0.35
DPP7 Q9UHL4 2/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.35

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
SCHEMBL8239159 0.98 CA1 (0.43) CA1CA2CA4CA9ACHE
SCHEMBL3493529 0.92 CA1 (0.43) CA1CA2CA4CA9ACHE
SCHEMBL3492305 0.92 CA1 (0.43) CA1CA2CA4CA9ACHE
Hydrochloric Acid SCHEMBL3494725 0.92 CA1 (0.43) CA1CA2CA4CA9ACHE
SCHEMBL3495395 0.86 CA1 (0.44) CA1CA2CA4CA9ACHE
SCHEMBL8238745 0.85 CA1 (0.41) CA1CA2CA4CA9ACHE
SCHEMBL3494635 0.85 ACHE (0.44) CA1CA2CA4CA9ACHE
SCHEMBL3495715 0.85 CA1 (0.41) CA1CA2CA4CA9DPP4
SCHEMBL13340445 0.84 CA1 (0.40) CA1CA2CA4CA9ACHE
SCHEMBL3492491 0.83 CA1 (0.46) 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 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 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.