SCHEMBL5076824

SCHEMBL5076824

O=CNC1(CCc2cccc(F)c2F)CC1

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 1/20 0.37
OPRM1 P35372 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
HDAC4 P56524 1/20 0.33
GAA P10253 1/20 0.32
P2RX7 Q99572 2/20 0.32
CHRM2 P08172 1/20 0.30
CHRM1 P11229 1/20 0.30
CHRM3 P20309 1/20 0.30
RIPK1 Q13546 1/20 0.30
HPGD P15428 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
SCHEMBL5082577 0.76 TAAR1 (0.41) GAACHRM2HPGD
SCHEMBL5073512 0.76 TAAR1 (0.41) P2RX7CHRM2
SCHEMBL5082479 0.75 LMNA (0.39) GAACHRM2CHRM1CHRM3
SCHEMBL5073726 0.72 TAAR1 (0.38) HPGD
SCHEMBL2470343 0.71 TAAR1 (0.38) FFAR4OPRM1SIGMAR1HDAC4GAA
SCHEMBL7052559 0.69 TAAR1 (0.48) RIPK1HPGD
SCHEMBL5075669 0.69 FFAR4 (0.40) FFAR4OPRM1SIGMAR1HDAC4GAA
SCHEMBL4846506 0.69 TAAR1 (0.38) FFAR4RIPK1HPGD
SCHEMBL5073762 0.68 TAAR1 (0.42) GAA
SCHEMBL5536436 0.67 ADH1B (0.44) P2RX7RIPK1HPGD

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-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

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 1384/4885OPRM1 3696/4885SIGMAR1 3209/4885
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 1384/4885OPRM1 3696/4885SIGMAR1 3209/4885

“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.