SCHEMBL5076870

SCHEMBL5076870

COc1ccccc1CCNC(=O)C(F)(F)F

nearest known ligand 0.69

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 3/20 0.68
MTNR1B P49286 3/20 0.68
CNR1 P21554 1/20 0.55
HPGD P15428 1/20 0.55
TAAR1 Q96RJ0 1/20 0.53
KMT2A Q03164 2/20 0.53
MEN1 O00255 1/20 0.53
NPC1 O15118 1/20 0.53
ALDH1A1 P00352 1/20 0.53
HTT P42858 1/20 0.53
RAB9A P51151 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53

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
SCHEMBL5071533 0.92 MTNR1A (0.57) MTNR1AMTNR1B
SCHEMBL27229065 0.84 MTNR1A (0.53) MTNR1AMTNR1BTAAR1
SCHEMBL5252751 0.83 MTNR1A (0.47) MTNR1AMTNR1BKMT2AMEN1
SCHEMBL22826695 0.83 MTNR1A (0.65) MTNR1AMTNR1BCNR1HPGDTAAR1
SCHEMBL27229064 0.82 MTNR1A (0.65) MTNR1AMTNR1B
SCHEMBL1010724 0.81 MTNR1A (1.00) MTNR1AMTNR1BCNR1HPGDTAAR1
SCHEMBL11896371 0.81 MTNR1A (0.77) MTNR1AMTNR1BCNR1HPGDTAAR1
Trifluoroacetic Acid SCHEMBL5071538 0.81 MTNR1A (0.58) MTNR1AMTNR1BCNR1HPGDTAAR1
SCHEMBL14893135 0.80 MTNR1A (0.74) MTNR1AMTNR1BCNR1HPGDTAAR1
SCHEMBL18793840 0.80 MTNR1A (0.52) MTNR1AMTNR1BHPGDKMT2AMEN1

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 MTNR1A 2115/4885MTNR1B 838/4885CNR1 835/4885
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 MTNR1A 2115/4885MTNR1B 838/4885CNR1 835/4885

“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.