SCHEMBL3497279

SCHEMBL3497279

O=C(O)N1CCN(C(=O)c2nnn(-c3cccc(OC4CCS(O)(O)CC4)c3)c2-c2ccccc2)[C@H](Cc2ccccc2)C1

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.35
CA1 P00915 12/20 0.35
CA2 P00918 12/20 0.35
CA4 P22748 12/20 0.35
CA9 Q16790 12/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
CNR1 P21554 2/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
ABHD6 Q9BV23 1/20 0.34
DAGLA Q9Y4D2 1/20 0.34
SCD5 Q86SK9 1/20 0.33
MGLL Q99685 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
SCHEMBL3497281 0.94 FAAH (0.35) POLBCA1CA2CA4CA9
SCHEMBL3494936 0.87 CA1 (0.35) CA1CA2CA4CA9CNR1
SCHEMBL13340244 0.85 ABHD6 (0.45) LMNAABHD6DAGLA
SCHEMBL3494204 0.83 POLB (0.41) POLBCA1CA2CA4CA9
SCHEMBL3494999 0.83 POLB (0.41) POLBCA1CA2CA4CA9
SCHEMBL3493306 0.82 CA1 (0.35) CA1CA2CA4CA9
SCHEMBL3493856 0.82 MEN1 (0.39) POLBCA1CA2CA4CA9
SCHEMBL3495566 0.82 FAAH (0.37) POLBCA1CA2CA4CA9
SCHEMBL8235498 0.81 REN (0.43) POLBCA1CA2CA4CA9
SCHEMBL3494933 0.81 FAAH (0.35) 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 POLB 1984/4885CA1 2606/4885CA2 1023/4885

“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.