SCHEMBL3494099

SCHEMBL3494099

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

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.47
KCNH2 Q12809 1/20 0.41
TRPV1 Q8NER1 1/20 0.41
CA1 P00915 12/20 0.39
CA2 P00918 12/20 0.39
CA4 P22748 12/20 0.39
CA9 Q16790 12/20 0.39
HCRTR1 O43613 1/20 0.38
HCRTR2 O43614 1/20 0.38
MGLL Q99685 1/20 0.38
CHRM2 P08172 1/20 0.37
CHRM1 P11229 1/20 0.37
CHRM4 P08173 2/20 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
SCHEMBL8238325 0.90 NR1H2 (0.44) NOTUMKCNH2TRPV1CA1CA2
SCHEMBL3491090 0.89 NOTUM (0.46) NOTUMKCNH2TRPV1CA1CA2
SCHEMBL3494880 0.88 CA1 (0.41) CA1CA2CA4CA9
SCHEMBL5141229 0.87 CA1 (0.42) CA1CA2CA4CA9
SCHEMBL3492546 0.87 CA1 (0.40) CA1CA2CA4CA9HCRTR1
SCHEMBL3493707 0.85 CA1 (0.35) CA1CA2CA4CA9
SCHEMBL3494368 0.85 CA1 (0.41) CA1CA2CA4CA9HCRTR1
SCHEMBL3495460 0.85 CA1 (0.40) NOTUMCA1CA2CA4CA9
SCHEMBL3492897 0.84 CA1 (0.38) CA1CA2CA4CA9
SCHEMBL3492893 0.84 FAAH (0.41) 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 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 NOTUM 1289/4885KCNH2 489/4885TRPV1 2916/4885

“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.