SCHEMBL5076835

SCHEMBL5076835

CNCC[C@H](C)c1ccccc1Cl

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.47
HTR2A P28223 2/20 0.46
HRH1 P35367 2/20 0.46
ADRB2 P07550 2/20 0.45
ADRB1 P08588 2/20 0.45
SLC6A4 P31645 5/20 0.41
CYP2D6 P10635 1/20 0.40
NFKB1 P19838 1/20 0.40
HIF1A Q16665 1/20 0.40
NISCH Q9Y2I1 1/20 0.40
NOS2 P35228 1/20 0.39
BLM P54132 1/20 0.39
AOC3 Q16853 1/20 0.38

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
SCHEMBL5071529 1.00 TAAR1 (0.47) TAAR1HTR2AHRH1ADRB2ADRB1
Formic Acid SCHEMBL5073038 0.91 ADRB2 (0.42) TAAR1HTR2AHRH1ADRB2ADRB1
Formic Acid SCHEMBL5073674 0.91 ADRB2 (0.42) TAAR1HTR2AHRH1ADRB2ADRB1
SCHEMBL6320788 0.80 ADRB2 (0.41) TAAR1ADRB2ADRB1SLC6A4CYP2D6
SCHEMBL5076834 0.80 ADRB2 (0.41) TAAR1ADRB2ADRB1SLC6A4CYP2D6
SCHEMBL5071527 0.80 ADRB2 (0.41) TAAR1ADRB2ADRB1SLC6A4CYP2D6
SCHEMBL16545294 0.79 SLC6A4 (0.49) TAAR1HTR2AHRH1SLC6A4CYP2D6
SCHEMBL9284882 0.79 ADRB2 (0.44) ADRB2ADRB1SLC6A4CYP2D6NFKB1
SCHEMBL9232403 0.79 ADRB2 (0.44) ADRB2ADRB1SLC6A4CYP2D6NFKB1
SCHEMBL6222532 0.77 NISCH (0.50) TAAR1HRH1ADRB2ADRB1SLC6A4

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-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
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 (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-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 TAAR1 1785/4885HTR2A 3307/4885HRH1 1163/4885

“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.