SCHEMBL3495602

SCHEMBL3495602

CC(C)C[C@@H]1CN(C(=O)O)CCN1C(=O)c1ncn(C2Cc3ccccc3C2)c1-c1ccccc1

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 4/20 0.34
PTGS2 P35354 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
CTDSP1 Q9GZU7 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
CA1 P00915 2/20 0.30
CA2 P00918 2/20 0.30
CA4 P22748 2/20 0.30
CA9 Q16790 2/20 0.30
LMNA P02545 1/20 0.30
SIGMAR1 Q99720 3/20 0.30
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
HRH3 Q9Y5N1 1/20 0.30

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
SCHEMBL3495160 0.89 CYP11B2 (0.34) CYP11B2PTGS2HRH3
SCHEMBL13340919 0.87 DRD2 (0.39) CYP11B2MEN1KMT2ACA1CA2
SCHEMBL3496018 0.85 CYP11B2 (0.35) CYP11B2PTGS2CTDSP1TDP1SIGMAR1
SCHEMBL3493922 0.84 CYP11B2 (0.34) CYP11B2PTGS2CTDSP1TDP1SIGMAR1
SCHEMBL3493920 0.84 CYP11B2 (0.34) CYP11B2PTGS2CTDSP1TDP1SIGMAR1
SCHEMBL4988573 0.83 CYP11B2 (0.36) CYP11B2PTGS2CTDSP1TDP1
SCHEMBL3494313 0.83 POLB (0.34)
SCHEMBL8238138 0.80 USP30 (0.38) MEN1KMT2A
SCHEMBL4982236 0.79 HCRTR2 (0.31) PTGS2
SCHEMBL3493884 0.79 CA1 (0.41) PTGS2CA1CA2CA4CA9

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 CYP11B2 29/4885PTGS2 865/4885MEN1 750/4885

“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.