SCHEMBL3493306

SCHEMBL3493306

Cc1cc(C(=O)N2CCN(C(=O)O)C[C@H]2Cc2ccccc2)c(-c2ccccc2)n1-c1cccc(OC2CCS(O)(O)CC2)c1

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CA1 P00915 15/20 0.35
CA2 P00918 15/20 0.35
CA4 P22748 15/20 0.35
CA9 Q16790 15/20 0.35
NOTUM Q6P988 1/20 0.35
NR1H2 P55055 2/20 0.33
NR1H3 Q13133 2/20 0.33
HCRTR1 O43613 1/20 0.33
HCRTR2 O43614 1/20 0.33
CYP3A4 P08684 1/20 0.33
TRPV1 Q8NER1 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
SCHEMBL3493304 0.94 CA1 (0.35) CA1CA2CA4CA9
SCHEMBL3492897 0.87 CA1 (0.38) CA1CA2CA4CA9NR1H2
SCHEMBL8230130 0.86 ABHD6 (0.41) NR1H2NR1H3
SCHEMBL5141229 0.84 CA1 (0.42) CA1CA2CA4CA9NR1H2
SCHEMBL3494880 0.83 CA1 (0.41) CA1CA2CA4CA9
SCHEMBL3492546 0.83 CA1 (0.40) CA1CA2CA4CA9NR1H2
SCHEMBL3495311 0.83 NOTUM (0.38) CA1CA2CA4CA9NOTUM
SCHEMBL3492893 0.82 FAAH (0.41) CA1CA2CA4CA9NR1H2
SCHEMBL3497279 0.82 POLB (0.35) CA1CA2CA4CA9
SCHEMBL3494936 0.82 CA1 (0.35) CA1CA2CA4CA9HCRTR1

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 3 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
EP-1984355-A2 CYCLIC AMINE COMPOUND AND USE THEREOF FOR THE PROPHYLAXIS OR TREATMENT OF HYPERTENSION Takeda Pharmaceutical Company Limited (JP) 2008-10-29 EP 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.