SCHEMBL3495460

SCHEMBL3495460

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

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CA1 P00915 17/20 0.40
CA2 P00918 17/20 0.40
CA4 P22748 17/20 0.40
CA9 Q16790 17/20 0.40
ALDH1A1 P00352 1/20 0.37
NOTUM Q6P988 1/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
MAPT P10636 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL3494368 0.91 CA1 (0.41) CA1CA2CA4CA9
SCHEMBL3494880 0.91 CA1 (0.41) CA1CA2CA4CA9
SCHEMBL8235365 0.89 NR1H2 (0.44) CA1CA2CA4CA9MAPT
SCHEMBL3491821 0.88 CA1 (0.47) CA1CA2CA4CA9NPC1
SCHEMBL3493495 0.88 CA1 (0.47) CA1CA2CA4CA9NPC1
SCHEMBL4981189 0.87 ALDH1A1 (0.37) CA1CA2CA4CA9ALDH1A1
SCHEMBL3493355 0.87 CA1 (0.44) CA1CA2CA4CA9
SCHEMBL3492546 0.87 CA1 (0.40) CA1CA2CA4CA9
SCHEMBL5141229 0.87 CA1 (0.42) CA1CA2CA4CA9
SCHEMBL3492063 0.87 ALDH1A1 (0.41) ALDH1A1NOTUMNPC1RAB9AMAPT

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.