SCHEMBL695671

SCHEMBL695671

COc1cccc(CNC2CC2)c1C

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
POLB P06746 1/20 0.52
ALDH1A1 P00352 4/20 0.51
GAA P10253 3/20 0.51
LMNA P02545 1/20 0.51
ALOX12 P18054 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
BCHE P06276 2/20 0.51
ACHE P22303 2/20 0.51
BACE1 P56817 2/20 0.51
CD274 Q9NZQ7 2/20 0.50
PDCD1 Q15116 1/20 0.50
KDM4E B2RXH2 2/20 0.49
HTT P42858 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
KDM1A O60341 3/20 0.47
MAOA P21397 3/20 0.47
MAOB P27338 2/20 0.47

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
SCHEMBL695065 0.85 MEN1 (0.68) MEN1KMT2APOLBALDH1A1GAA
SCHEMBL696258 0.84 BCHE (0.68) MEN1KMT2APOLBALDH1A1GAA
SCHEMBL4692148 0.84 ALDH1A1 (0.42) MEN1KMT2APOLBALDH1A1GAA
SCHEMBL736332 0.83 MEN1 (0.54) MEN1KMT2APOLBALDH1A1GAA
SCHEMBL56141 0.80 P2RX7 (0.43) MEN1KMT2APOLBGAABCHE
Hydrochloric Acid SCHEMBL3354807 0.78 MEN1 (0.42) MEN1KMT2APOLBGAABCHE
SCHEMBL22910535 0.78 SLC6A4 (0.49) POLBALDH1A1GAABCHEACHE
SCHEMBL6110591 0.77 BCHE (0.51) MEN1KMT2APOLBALDH1A1GAA
SCHEMBL27091860 0.77 MEN1 (0.65) MEN1KMT2APOLBALDH1A1GAA
SCHEMBL736962 0.77 GLA (0.53) MEN1KMT2APOLBALDH1A1CD274

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 44 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1786814-B1 BICYCLONONENE DERIVATIVES AS RENIN INHIBITORS ACTELION PHARMACEUTICALS LTD (CH) 2010-03-31 EP claimed
US-8178559-B2 Organic compounds NOVARTIS AG (CH) 2012-05-15 US disclosed
US-8178559-B2 Organic compounds NOVARTIS AG (CH) 2012-05-15 US disclosed
US-20120115907-A1 NOVEL COMPOUNDS AS INHIBITORS OF RENIN CADILA HEALTHCARE LIMITED (IN) 2012-05-10 US disclosed
US-8138340-B2 Bicyclononene derivatives ACTELION PHARMACEUTICALS LTD. (CH) 2012-03-20 US disclosed
EP-2421828-A2 PIPERIDINE DERIVATIVES AS INHIBITORS OF RENIN Cadila Healthcare Limited (IN) 2012-02-29 EP disclosed
US-8084450-B2 Organic compounds NOVARTIS AG (CH) 2011-12-27 US disclosed
US-8084450-B2 Organic compounds NOVARTIS AG (CH) 2011-12-27 US disclosed
US-20110263560-A1 Organic Compounds NOVARTIS AG (CH) 2011-10-27 US disclosed
US-20110263560-A1 Organic Compounds NOVARTIS AG (CH) 2011-10-27 US disclosed
WO-2006021401-A2 BICYLONONENE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2006-03-02 WO disclosed
WO-2006021399-A2 AZABICYCLONONENE DERIVATIVES AS RENIN INHIBITORS ACTELION PHARMACEUTICALS LTD (CH) 2006-03-02 WO disclosed
EP-1622907-A1 AZABICYCLONONENE DERIVATIVES Actelion Pharmaceuticals Ltd. (CH) 2006-02-08 EP disclosed
EP-1622906-A1 DIAZABICYCLONONENE AND TETRAHYDROPYRIDINE DERIVATIVES AS RENIN INHIBITORS Actelion Pharmaceuticals Ltd. (CH) 2006-02-08 EP disclosed
EP-1622685-A1 9-AZABICYCLO[3.3.1]NON-6-ENE DERIVATIVES WITH A HETEROATOM AT THE 3-POSITION AS RENIN INHIBITORS Actelion Pharmaceuticals Ltd. (CH) 2006-02-08 EP disclosed
EP-1622901-A1 TROPANE DERIVATIVES AND THEIR USE AS ACE INHIBITORS Actelion Pharmaceuticals Ltd. (CH) 2006-02-08 EP disclosed
WO-2004096366-A1 9-AZABICYCLO’3.3.1!NON-6-EE DERIVATIVES WITH A HETEROATOM AT THE 3-POSITION AS RENIN INHIBITORS ACTELION PHARMACEUTICALS LTD (CH) 2004-11-11 WO disclosed
WO-2004096799-A1 TROPANE DERIVATIVES AND THEIR USE AS ACE INHIBITORS ACTELION PHARMACEUTICALS LTD (CH) 2004-11-11 WO disclosed
WO-2004096804-A1 DIAZABICYCLONONENE AND TETRAHYDROPYRIDINE DERIVATIVES AS RENIN INHIBITORS ACTELION PHARMACEUTICALS LTD (CH) 2004-11-11 WO disclosed
WO-2004096803-A1 AZABICYCLONONENE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2004-11-11 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-20120115907-A1 NOVEL COMPOUNDS AS INHIBITORS OF RENIN REN, ACE, AGTR1 MEN1 1386/4885KMT2A 4717/4885POLB 3919/4885
US-20110263560-A1 Organic Compounds REN, ACE, OTC MEN1 2812/4885KMT2A 2850/4885POLB 663/4885

“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.