SCHEMBL3495103

SCHEMBL3495103

CCC(CC(=O)O)c1cc(OC)c(OC)c(-n2c(C)cc(C(=O)N3CCN(Cc4ccccc4)C[C@H]3Cc3ccccc3)c2-c2ccccc2)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
CA4 P22748 2/20 0.38
CA9 Q16790 2/20 0.38
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
CTSD P07339 1/20 0.36
DPP4 P27487 1/20 0.36
DPP7 Q9UHL4 1/20 0.36
TACR1 P25103 1/20 0.36
POLB P06746 1/20 0.35
SIGMAR1 Q99720 1/20 0.34
SLC29A1 Q99808 1/20 0.34
ABCB1 P08183 1/20 0.34
LMNA P02545 1/20 0.34
ROCK1 Q13464 1/20 0.33
BCHE P06276 1/20 0.33
ACHE P22303 1/20 0.33
BACE1 P56817 1/20 0.33
DRD2 P14416 1/20 0.33

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
SCHEMBL3496361 0.86 CA1 (0.44) CA1CA2CA4CA9MEN1
SCHEMBL3495096 0.86 CA1 (0.38) CA1CA2CA4CA9MEN1
SCHEMBL3496056 0.86 CA1 (0.40) CA1CA2CA4CA9MEN1
SCHEMBL3492435 0.85 CA1 (0.44) CA1CA2CA4CA9MEN1
SCHEMBL3491870 0.85 SLC29A1 (0.43) CA1CA2CA4CA9MEN1
SCHEMBL3495101 0.84 CA1 (0.38) CA1CA2CA4CA9MEN1
SCHEMBL4984950 0.83 CA1 (0.41) CA1CA2CA4CA9MEN1
SCHEMBL3493611 0.82 POLB (0.42) CA1CA2CA4CA9MEN1
SCHEMBL4980371 0.81 CA1 (0.41) CA1CA2CA4CA9MEN1
SCHEMBL4980367 0.81 CA1 (0.41) CA1CA2CA4CA9MEN1

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.