SCHEMBL3495160

SCHEMBL3495160

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

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 4/20 0.34
PTGS2 P35354 1/20 0.32
HCRTR2 O43614 3/20 0.31
HRH3 Q9Y5N1 1/20 0.31
BCHE P06276 1/20 0.30
PSEN1 P49768 2/20 0.30
PSEN2 P49810 2/20 0.30
APH1B Q8WW43 2/20 0.30
NCSTN Q92542 2/20 0.30
APH1A Q96BI3 2/20 0.30
PSENEN Q9NZ42 2/20 0.30
HCRTR1 O43613 2/20 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
SCHEMBL8238138 0.90 USP30 (0.38)
SCHEMBL3495602 0.89 CYP11B2 (0.34) CYP11B2PTGS2HRH3
SCHEMBL3496018 0.83 CYP11B2 (0.35) CYP11B2PTGS2HRH3
SCHEMBL4982236 0.82 HCRTR2 (0.31) PTGS2HCRTR2
SCHEMBL3493922 0.82 CYP11B2 (0.34) CYP11B2PTGS2HRH3
SCHEMBL3493920 0.82 CYP11B2 (0.34) CYP11B2PTGS2HRH3
SCHEMBL4988573 0.81 CYP11B2 (0.36) CYP11B2PTGS2
SCHEMBL3494313 0.81 POLB (0.34)
SCHEMBL3493884 0.77 CA1 (0.41) PTGS2
SCHEMBL13340919 0.76 DRD2 (0.39) CYP11B2

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 865/4885HCRTR2 255/4885

“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.