SCHEMBL5075669

SCHEMBL5075669

NC(=O)C1(CCc2cccc(F)c2F)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 1/20 0.40
HDAC4 P56524 1/20 0.36
RIPK1 Q13546 1/20 0.36
CES2 O00748 1/20 0.36
BCHE P06276 1/20 0.36
CES1 P23141 1/20 0.36
DPP4 P27487 1/20 0.36
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.35
AURKA O14965 1/20 0.35
PDPK1 O15530 1/20 0.35
RPS6KB1 P23443 1/20 0.35
HSD11B1 P28845 1/20 0.35
P2RX7 Q99572 2/20 0.34
MPO P05164 2/20 0.34
OPRM1 P35372 1/20 0.34
SIGMAR1 Q99720 1/20 0.34
GRIN2B Q13224 1/20 0.33
TAAR1 Q96RJ0 1/20 0.33
REN P00797 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
SCHEMBL2470343 0.76 TAAR1 (0.38) FFAR4HDAC4RIPK1DPP4GAA
SCHEMBL5071579 0.75 TAAR1 (0.46) ALDH1A1TAAR1
SCHEMBL2475350 0.75 HTR3E (0.50) TAAR1
SCHEMBL5072893 0.74 ALDH1A1 (0.46) RIPK1DPP4ALDH1A1GRIN2BTAAR1
SCHEMBL3166971 0.73 OPRL1 (0.41) HDAC4CES2CES1ALDH1A1AURKA
SCHEMBL16986483 0.71 FFAR4 (0.40) FFAR4HDAC4GAAAURKAP2RX7
SCHEMBL5076813 0.71 ALDH1A1 (0.43) ALDH1A1OPRM1TAAR1
SCHEMBL7052559 0.70 TAAR1 (0.48) RIPK1CES2BCHECES1MPO
SCHEMBL3163919 0.70 FFAR4 (0.41) FFAR4HDAC4ALDH1A1GAAAURKA
SCHEMBL5495876 0.70 FFAR4 (0.38) FFAR4HDAC4RIPK1GAAOPRM1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080312242-A1 7-ARYL-3, 9-DIAZABICYCLO(3.3.1)NON-6-ENE DERIVATIVES AND THEIR USE AS RENIN INHIBITORS IN THE TREATMENT OF HYPERTENSION, CARDIOVASCULAR OR RENAL DISEASES ACTELION PHARMACEUTICALS, LTD. (CH) 2008-12-18 US disclosed
US-7427613-B2 7-aryl-3,9-diazabicyclo(3.3.1)non-6-ene derivatives and their use as renin inhibitors in the treatment of hypertension, cardiovascular or renal diseases ACTELION PHARMACEUTICALS LTD. (CH) 2008-09-23 US disclosed
US-20050176700-A1 7-aryl-3,9-diazabicyclo(3.3.1)non-6-ene derivatives and their use as renin inhibitors in the treatment of hypertension,cardiovascular or renal diseases ACTELION PHARMACEUTICALS LTD. (CH) 2005-08-11 US disclosed
EP-1501830-A1 7-ARYL-3,9-DIAZABICYCLO[3.3.1]NON-6-ENE DERIVATIVES AND THEIR USE AS RENIN INHIBITORS IN THE TREATMENT OF HYPERTENSION, CARDIOVASCULAR OR RENAL DISEASES Actelion Pharmaceuticals Ltd. (CH) 2005-02-02 EP disclosed
WO-2003093267-A1 7-ARYL-3,9-DIAZABICYCLO(3.3.1)NON-6-ENE DERIVATIVES AND THEIR USE AS RENIN INHIBITORS IN THE TREATMENT OF HYPERTENSION, CARDIOVASCULAR OR RENAL DISEASES ACTELION PHARMACEUTICALS LTD (CH) 2003-11-13 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 (2 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-20050176700-A1 7-aryl-3,9-diazabicyclo(3.3.1)non-6-ene derivatives and their use as renin inhibitors in the treatment of hypertension,cardiovascular or renal diseases REN, AGTR1, ACE FFAR4 1384/4885HDAC4 2564/4885RIPK1 3837/4885
US-20080312242-A1 7-ARYL-3, 9-DIAZABICYCLO(3.3.1)NON-6-ENE DERIVATIVES AND THEIR USE AS RENIN INHIBITORS IN THE TREATMENT OF HYPERTENSION, CARDIOVASCULAR OR RENAL DISEASES REN, AGTR1, ACE FFAR4 1384/4885HDAC4 2564/4885RIPK1 3837/4885

“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.