SCHEMBL5040852

SCHEMBL5040852

O=C1Cc2ccc(OCc3ccccc3)cc2CCN1

nearest known ligand 0.57

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAOB P27338 8/20 0.57
MAOA P21397 7/20 0.57
HRH3 Q9Y5N1 8/20 0.54
CYP2D6 P10635 3/20 0.48
HRH1 P35367 1/20 0.48
RXRA P19793 1/20 0.47
RXRB P28702 1/20 0.47
RXRG P48443 1/20 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
SCHEMBL30468506 0.95 MAOB (0.57) MAOBMAOAHRH3CYP2D6HRH1
SCHEMBL29051778 0.95 MAOB (0.57) MAOBMAOAHRH3CYP2D6HRH1
SCHEMBL5048926 0.87 MAOB (0.57) MAOBMAOA
SCHEMBL5044639 0.87 MAOB (0.61) MAOBMAOA
SCHEMBL5042171 0.82 MAOB (0.57) MAOBMAOA
SCHEMBL3875255 0.82 MAOA (0.68) MAOBMAOAHRH3
SCHEMBL5044659 0.81 GABRG2 (0.42) MAOBMAOA
SCHEMBL18983602 0.81 HRH3 (0.59) MAOBMAOAHRH3CYP2D6HRH1
Hydrochloric Acid SCHEMBL3902331 0.80 MAOA (0.66) MAOBMAOAHRH3
SCHEMBL3077665 0.80 HRH3 (0.67) MAOBMAOAHRH3CYP2D6HRH1

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1680127-B1 BENZAZEPINE DERIVATIVES AS MAO-B INHIBITORS HOFFMANN LA ROCHE (CH) 2008-10-15 EP claimed
US-20070078172-A1 MAO-B INHIBITORS USEFUL FOR TREATING OBESITY JENRIN DISCOVERY (US) 2007-04-05 US claimed
US-20050107360-A1 Bicyclic compounds HOFFMANN-LA ROCHE INC. 2005-05-19 US claimed
CN-116332910-A 2-aminopyrimidine derivatives as kinase inhibitors, preparation and use thereof 江苏威凯尔医药科技有限公司 2023-06-27 CN disclosed
EP-1680127-B1 BENZAZEPINE DERIVATIVES AS MAO-B INHIBITORS HOFFMANN LA ROCHE (CH) 2008-10-15 EP disclosed
US-20070117791-A1 Bicyclic compounds JOLIDON SYNESE 2007-05-24 US disclosed
US-20070078172-A1 MAO-B INHIBITORS USEFUL FOR TREATING OBESITY JENRIN DISCOVERY (US) 2007-04-05 US disclosed
US-7173023-B2 Bicyclic compounds HOFFMANN-LA ROCHE INC. (US) 2007-02-06 US disclosed
EP-1680127-A1 BENZAZEPINE DERIVATIVES AS MAO-B INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2006-07-19 EP disclosed
US-20050107360-A1 Bicyclic compounds HOFFMANN-LA ROCHE INC. 2005-05-19 US disclosed
WO-2005039591-A1 BENZAZEPINE DERIVATIVES AS MAO-B INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2005-05-06 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 (3 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-20070078172-A1 MAO-B INHIBITORS USEFUL FOR TREATING OBESITY MAOB, MAOA, GPR119 MAOB 1/4885MAOA 2/4885HRH3 2279/4885
US-20050107360-A1 Bicyclic compounds MAOB, MAOA, XDH MAOB 1/4885MAOA 2/4885HRH3 149/4885
US-20070117791-A1 Bicyclic compounds MAOB, MAOA, XDH MAOB 1/4885MAOA 2/4885HRH3 94/4885

“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.