SCHEMBL5565665

SCHEMBL5565665

N#C[C@@H]1CCN(c2ccc(OCc3ccccc3)cc2)C1=O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.47
LMNA P02545 3/20 0.45
UCHL1 P09936 1/20 0.44
USP30 Q70CQ3 1/20 0.44
RAB9A P51151 5/20 0.43
NPC1 O15118 4/20 0.43
FDFT1 P37268 2/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
KDM4C Q9H3R0 1/20 0.43
CASP3 P42574 1/20 0.42
SENP8 Q96LD8 1/20 0.42
SENP7 Q9BQF6 1/20 0.42
SENP6 Q9GZR1 1/20 0.42
L3MBTL1 Q9Y468 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
KCNH2 Q12809 2/20 0.42
MCHR1 Q99705 2/20 0.42
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.42

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
SCHEMBL5565659 1.00 MAOB (0.47) MAOBLMNAUCHL1USP30RAB9A
SCHEMBL5570372 0.81 RAB9A (0.49) MAOBLMNARAB9ANPC1FDFT1
SCHEMBL5570375 0.81 RAB9A (0.49) MAOBLMNARAB9ANPC1FDFT1
SCHEMBL22119554 0.81 RAB9A (0.52) MAOBLMNARAB9ANPC1FDFT1
Hydrochloric Acid SCHEMBL5569207 0.80 LMNA (0.49) MAOBLMNARAB9ANPC1FDFT1
Hydrochloric Acid SCHEMBL5569218 0.80 LMNA (0.49) MAOBLMNARAB9ANPC1FDFT1
SCHEMBL26618878 0.78 ALDH1A1 (0.45) LMNARAB9ANPC1MCHR1MAPT
SCHEMBL3508153 0.77 MAOB (0.50) MAOBLMNAMEN1KMT2AMAPT
SCHEMBL3508151 0.77 MAOB (0.50) MAOBLMNAMEN1KMT2AMAPT
SCHEMBL3505784 0.74 AR (0.49) LMNAUCHL1USP30RAB9ANPC1

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
US-7235581-B2 4-pyrrolidino-phenyl-benzyl ether derivatives HOFFMAN-LA ROCHE INC. (US) 2007-06-26 US claimed
US-20070078172-A1 MAO-B INHIBITORS USEFUL FOR TREATING OBESITY JENRIN DISCOVERY (US) 2007-04-05 US claimed
US-20040097578-A1 4-Pyrrolidino-phenyl-benzyl ether derivatives F. HOFFMANN-LA ROCHE AG, A SWISS COMPANY (CH) 2004-05-20 US claimed
US-7235581-B2 4-pyrrolidino-phenyl-benzyl ether derivatives HOFFMAN-LA ROCHE INC. (US) 2007-06-26 US disclosed
US-20070078172-A1 MAO-B INHIBITORS USEFUL FOR TREATING OBESITY JENRIN DISCOVERY (US) 2007-04-05 US disclosed
US-20040097578-A1 4-Pyrrolidino-phenyl-benzyl ether derivatives F. HOFFMANN-LA ROCHE AG, A SWISS COMPANY (CH) 2004-05-20 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 (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-20070078172-A1 MAO-B INHIBITORS USEFUL FOR TREATING OBESITY MAOB, MAOA, GPR119 MAOB 1/4885LMNA 1357/4885UCHL1 761/4885
US-20040097578-A1 4-Pyrrolidino-phenyl-benzyl ether derivatives MAOB, MAOA, COMT MAOB 1/4885LMNA 1887/4885UCHL1 143/4885

“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.