SCHEMBL5085566

SCHEMBL5085566

Cc1ccccc1CC1(NC=O)CC1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.38
KMT2A Q03164 5/20 0.36
GAA P10253 1/20 0.36
TAAR1 Q96RJ0 1/20 0.35
ALDH1A1 P00352 4/20 0.35
HPGD P15428 3/20 0.35
KDM4E B2RXH2 2/20 0.35
PTGS1 P23219 1/20 0.34
PTGS2 P35354 1/20 0.34
CDK4 P11802 1/20 0.34
CCND1 P24385 1/20 0.34
POLB P06746 1/20 0.34
MEN1 O00255 3/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
TSHR P16473 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
L3MBTL1 Q9Y468 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
SCHEMBL5082577 0.84 TAAR1 (0.41) CHRM2KMT2AGAATAAR1ALDH1A1
SCHEMBL5082479 0.80 LMNA (0.39) CHRM2KMT2AGAATAAR1ALDH1A1
SCHEMBL2440416 0.71 ALDH1A1 (0.40) CHRM2KMT2ATAAR1ALDH1A1KDM4E
Formic Acid SCHEMBL5135725 0.70 MAOA (0.43) KMT2AGAATAAR1ALDH1A1HPGD
SCHEMBL5073567 0.69 FFAR4 (0.41)
SCHEMBL8070720 0.69 ADRB2 (0.48) KMT2ATAAR1ALDH1A1MEN1L3MBTL1
SCHEMBL8059353 0.68 ADRB2 (0.50) KMT2ATAAR1ALDH1A1MEN1TSHR
SCHEMBL5073512 0.68 TAAR1 (0.41) CHRM2KMT2ATAAR1MEN1NPC1
SCHEMBL5544165 0.67 CHRM2 (0.53) CHRM2KMT2AGAATAAR1ALDH1A1
SCHEMBL1824872 0.67 MAOA (0.52) CHRM2KMT2ATAAR1ALDH1A1KDM4E

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 4 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-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 CHRM2 3509/4885KMT2A 4221/4885GAA 507/4885
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 CHRM2 3509/4885KMT2A 4221/4885GAA 507/4885

“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.