SCHEMBL1124803

SCHEMBL1124803

OCCC1(c2ccccc2)CC1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.56
MAOB P27338 1/20 0.56
TAAR1 Q96RJ0 1/20 0.56
DPP4 P27487 1/20 0.47
OPRM1 P35372 3/20 0.43
OPRL1 P41146 3/20 0.43
CYP2D6 P10635 1/20 0.43
EPHX2 P34913 1/20 0.43
SLC6A4 P31645 2/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A3 Q01959 1/20 0.41
HSD11B1 P28845 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
LMNA P02545 2/20 0.40
HTT P42858 1/20 0.40
CNR1 P21554 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
AKR1C1 Q04828 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
SCHEMBL18440465 0.91 DPP4 (0.53) MAOAMAOBTAAR1DPP4CYP2D6
SCHEMBL15577241 0.86 ICMT (0.51) MAOAMAOBTAAR1DPP4OPRM1
SCHEMBL8369864 0.86 TACR1 (0.53) MAOAMAOBTAAR1DPP4OPRM1
SCHEMBL20115640 0.86 MAOA (0.43) MAOAMAOBTAAR1DPP4CYP2D6
SCHEMBL31147460 0.85 MEN1 (0.53) MAOAMAOBTAAR1DPP4CYP2D6
SCHEMBL11653122 0.82 MMP3 (0.45) MAOAMAOBTAAR1DPP4OPRM1
SCHEMBL1371770 0.81 MAOA (0.60) MAOAMAOBTAAR1DPP4OPRM1
SCHEMBL3380377 0.81 ACSS2 (0.43) MAOAMAOBTAAR1DPP4OPRM1
SCHEMBL6996455 0.79 SLC6A2 (0.51) MAOAMAOBTAAR1OPRM1CYP2D6
SCHEMBL8366562 0.79 CCR1 (0.42) MAOAMAOBTAAR1DPP4OPRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2284157-A1 Quinolines useful in treating cardiovascular disease Wyeth (US) 2011-02-16 EP disclosed
US-7576215-B2 Quinolines and pharmaceutical compositions thereof WYETH (US) 2009-08-18 US disclosed
CN-1914173-A Quinolines useful in treating cardiovascular disease WYETH CORP (US) 2007-02-14 CN disclosed
EP-1692111-A2 QUINOLINES USEFUL IN TREATING CARDIOVASCULAR DISEASE Wyeth, A Corporation of the State of Delaware (US) 2006-08-23 EP disclosed
WO-2005058834-A2 QUINOLINES USEFUL IN TREATING CARDIOVASCULAR DISEASE WYETH (US) 2005-06-30 WO disclosed
US-20050131014-A1 Quinolines useful in treating cardiovascular disease WYETH (US) 2005-06-16 US 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-20050131014-A1 Quinolines useful in treating cardiovascular disease NR1H2, NR1H3, SREBF1 MAOA 2684/4885MAOB 2151/4885TAAR1 817/4885

“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.