SCHEMBL3495440

SCHEMBL3495440

COc1ccc([N+](=O)[O-])c(-n2ccc(C(=O)N3CCN(C(=O)O)C[C@H]3Cc3ccccc3)c2-c2ccccc2)c1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.43
ALDH1A1 P00352 6/20 0.43
SMN1; SMN2 Q16637 2/20 0.41
HTT P42858 1/20 0.41
CA1 P00915 12/20 0.40
CA2 P00918 12/20 0.40
CA4 P22748 12/20 0.40
CA9 Q16790 12/20 0.40
RECQL P46063 1/20 0.39
MAPK1 P28482 2/20 0.38
LMNA P02545 1/20 0.38
HPGD P15428 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
GAA P10253 1/20 0.37
TDP1 Q9NUW8 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
SCHEMBL3495443 1.00 MAPT (0.43) MAPTALDH1A1SMN1; SMN2HTTCA1
SCHEMBL8240430 0.91 ABHD6 (0.44) MAPTALDH1A1SMN1; SMN2HTTCA1
SCHEMBL3494069 0.90 CA1 (0.41) ALDH1A1SMN1; SMN2HTTCA1CA2
SCHEMBL3494075 0.90 CA1 (0.41) ALDH1A1SMN1; SMN2HTTCA1CA2
SCHEMBL3492823 0.88 CA1 (0.41) MAPTALDH1A1CA1CA2CA4
SCHEMBL3494238 0.83 CA1 (0.37) ALDH1A1CA1CA2CA4CA9
SCHEMBL3495158 0.83 ABHD6 (0.41) MAPTSMN1; SMN2CA1CA2CA4
SCHEMBL8235801 0.79 ABHD6 (0.47) CA1CA2CA4CA9
SCHEMBL3494937 0.79 CA1 (0.46) CA1CA2CA4CA9
SCHEMBL3493035 0.79 CA1 (0.46) 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 MAPT 4821/4885ALDH1A1 1062/4885SMN1; SMN2 4730/4885

“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.