SCHEMBL5076863

SCHEMBL5076863

O=CNCCCC(Cc1ccccc1)C1=COCO1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.36
ADH1B P00325 1/20 0.36
ADH1C P00326 1/20 0.36
ADH1A P07327 1/20 0.36
ADH7 P40394 1/20 0.36
MEN1 O00255 5/20 0.35
KMT2A Q03164 5/20 0.35
TAAR1 Q96RJ0 1/20 0.35
POLB P06746 2/20 0.33
ALDH1A1 P00352 2/20 0.33
MMP9 P14780 1/20 0.32
PLAUR Q03405 1/20 0.32
MAPT P10636 2/20 0.32
NPSR1 Q6W5P4 2/20 0.32
MAPK1 P28482 1/20 0.32
HTT P42858 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
MIF P14174 1/20 0.32
CTSK P43235 4/20 0.31
CTSL P07711 2/20 0.31

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
SCHEMBL2471269 0.78 HTR2A (0.39) MEN1KMT2ATAAR1POLBMMP9
SCHEMBL3558393 0.78 MIF (0.36) EPHX1MEN1KMT2ATAAR1POLB
SCHEMBL3208887 0.76 MIF (0.37) EPHX1MEN1KMT2ATAAR1POLB
SCHEMBL5073587 0.73 MIF (0.39) EPHX1MEN1KMT2AMAPTNPSR1
SCHEMBL406396 0.73 MIF (0.39) EPHX1MEN1KMT2ATAAR1POLB
SCHEMBL938718 0.73 EPHX1 (0.37) EPHX1TAAR1ALDH1A1MIFCYP2D6
SCHEMBL1430902 0.72 MIF (0.56) KMT2AMIFPKM
SCHEMBL3555963 0.72 EPHX1 (0.38) EPHX1MEN1KMT2ATAAR1TDP1
Hydrochloric Acid SCHEMBL3569025 0.72 EPHX1 (0.36) EPHX1MEN1KMT2ATAAR1ALDH1A1
SCHEMBL3559731 0.71 MTNR1A (0.42) MEN1KMT2APOLBALDH1A1MAPT

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 EPHX1 152/4885ADH1B 757/4885ADH1C 210/4885
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 EPHX1 152/4885ADH1B 757/4885ADH1C 210/4885

“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.