SCHEMBL5570948

SCHEMBL5570948

N[C@@H]1CCN(c2ccc(OCc3cccc(F)c3)cc2)C1=O

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAOB P27338 15/20 0.55
MAOA P21397 5/20 0.53
KCNH2 Q12809 2/20 0.53
MCHR1 Q99705 1/20 0.53
PARP10 Q53GL7 1/20 0.50
NR4A2 P43354 1/20 0.48
F10 P00742 1/20 0.46
OPRM1 P35372 1/20 0.46
OPRD1 P41143 1/20 0.46

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
SCHEMBL4087489 1.00 MAOB (0.55) MAOBMAOAKCNH2MCHR1PARP10
SCHEMBL5570260 1.00 MAOB (0.55) MAOBMAOAKCNH2MCHR1PARP10
Hydrochloric Acid SCHEMBL5567223 0.99 MAOB (0.56) MAOBMAOAKCNH2MCHR1PARP10
Hydrochloric Acid SCHEMBL5566729 0.99 MAOB (0.56) MAOBMAOAKCNH2MCHR1PARP10
Hydrochloric Acid SCHEMBL5566724 0.99 MAOB (0.56) MAOBMAOAKCNH2MCHR1PARP10
SCHEMBL5567497 0.92 MAOB (0.49) MAOBMAOAKCNH2MCHR1PARP10
SCHEMBL3506566 0.85 MAOB (0.59) MAOBMAOAKCNH2PARP10
SCHEMBL3506564 0.85 MAOB (0.59) MAOBMAOAKCNH2PARP10
Hydrochloric Acid SCHEMBL5570296 0.85 NPC1 (0.55) MAOBKCNH2MCHR1PARP10
Hydrochloric Acid SCHEMBL5570291 0.85 NPC1 (0.55) MAOBKCNH2MCHR1PARP10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7235581-B2 4-pyrrolidino-phenyl-benzyl ether derivatives HOFFMAN-LA ROCHE INC. (US) 2007-06-26 US disclosed
EP-1542971-A1 4-PYRROLIDINO-PHENYL-BENZYL ETHER DERIVATIVES F. Hoffmann-La Roche Ltd. (CH) 2005-06-22 EP disclosed
US-20040097578-A1 4-Pyrrolidino-phenyl-benzyl ether derivatives F. HOFFMANN-LA ROCHE AG, A SWISS COMPANY (CH) 2004-05-20 US disclosed
WO-2004026826-A1 4-PYRROLIDINO-PHENYL-BENZYL ETHER DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2004-04-01 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 (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-20040097578-A1 4-Pyrrolidino-phenyl-benzyl ether derivatives MAOB, MAOA, COMT MAOB 1/4885MAOA 2/4885KCNH2 2844/4885

“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.