SCHEMBL3494936

SCHEMBL3494936

O=C(O)N1CCN(C(=O)c2ncn(-c3cccc(OC4CCS(O)(O)CC4)c3)c2-c2ccccc2)[C@H](Cc2ccccc2)C1

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CA1 P00915 12/20 0.35
CA2 P00918 12/20 0.35
CA4 P22748 12/20 0.35
CA9 Q16790 12/20 0.35
FAAH O00519 2/20 0.35
HCRTR1 O43613 1/20 0.34
HCRTR2 O43614 1/20 0.34
CCKAR P32238 2/20 0.33
SCD5 Q86SK9 1/20 0.33
CNR1 P21554 1/20 0.33
OPRK1 P41145 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
SCHEMBL3494933 0.94 FAAH (0.35) CA1CA2CA4CA9FAAH
SCHEMBL3497279 0.87 POLB (0.35) CA1CA2CA4CA9SCD5
SCHEMBL3492728 0.86 SPHK2 (0.41) CA1CA2CA4CA9FAAH
SCHEMBL8229919 0.85 ABHD6 (0.42) FAAH
SCHEMBL3491863 0.83 CA1 (0.40) CA1CA2CA4CA9HCRTR1
SCHEMBL3493306 0.82 CA1 (0.35) CA1CA2CA4CA9HCRTR1
SCHEMBL3497281 0.81 FAAH (0.35) CA1CA2CA4CA9FAAH
SCHEMBL4982247 0.77 ABHD6 (0.46) FAAH
SCHEMBL3493304 0.77 CA1 (0.35) CA1CA2CA4CA9FAAH
SCHEMBL4295272 0.75 CA1 (0.33) CA1CA2CA4CA9SCD5

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.