SCHEMBL5038595

SCHEMBL5038595

NC(=O)C#Cc1ccc(OCc2cccc(F)c2)cc1

nearest known ligand 0.68

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 4/20 0.68
MAOB P27338 11/20 0.67
PARP10 Q53GL7 1/20 0.67
NR4A2 P43354 1/20 0.61
MAOA P21397 1/20 0.56
SCN9A Q15858 1/20 0.56

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
SCHEMBL5044912 0.88 FFAR1 (0.86) FFAR1MAOBPARP10NR4A2
SCHEMBL5038715 0.84 FFAR1 (0.64) FFAR1MAOBPARP10NR4A2MAOA
SCHEMBL9935190 0.83 FFAR1 (0.65) FFAR1MAOBPARP10NR4A2MAOA
SCHEMBL9933192 0.82 FFAR1 (0.81) FFAR1
SCHEMBL3503549 0.81 MAOB (1.00) MAOBPARP10NR4A2MAOASCN9A
SCHEMBL9934278 0.80 FFAR1 (0.83) FFAR1
SCHEMBL4423295 0.78 MAOB (0.71) MAOBPARP10NR4A2MAOASCN9A
SCHEMBL4427972 0.78 MAOB (0.71) MAOBPARP10NR4A2MAOASCN9A
SCHEMBL26106027 0.77 NR4A2 (0.74) FFAR1MAOBPARP10NR4A2MAOA
SCHEMBL3625818 0.77 MAOB (0.73) MAOBPARP10NR4A2MAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070078172-A1 MAO-B INHIBITORS USEFUL FOR TREATING OBESITY JENRIN DISCOVERY (US) 2007-04-05 US claimed
WO-2006138475-A2 MAO-B INHIBITORS USEFUL FOR TREATING OBESITY JENRIN DISCOVERY (US) 2006-12-28 WO claimed
EP-1523469-B1 CINNAMIDE DERIVATIVES HOFFMANN LA ROCHE (CH) 2008-10-08 EP disclosed
US-20070078172-A1 MAO-B INHIBITORS USEFUL FOR TREATING OBESITY JENRIN DISCOVERY (US) 2007-04-05 US disclosed
WO-2006138475-A2 MAO-B INHIBITORS USEFUL FOR TREATING OBESITY JENRIN DISCOVERY (US) 2006-12-28 WO disclosed
US-6900354-B2 3-phenyl-propionamido, 3-phenyl-acrylamido and 3-phenyl-propynamido derivatives HOFFMAN-LA ROCHE INC. (US) 2005-05-31 US disclosed
EP-1523469-A1 CINNAMIDE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2005-04-20 EP disclosed
US-20040034096-A1 3-Phenyl-propionamido, 3-phenyl-acrylamido and 3-phenyl-propynamido derivatives HOFFMANN-LA ROCHE INC. 2004-02-19 US disclosed
WO-2004007429-A1 CINNAMIDE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2004-01-22 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-20070078172-A1 MAO-B INHIBITORS USEFUL FOR TREATING OBESITY MAOB, MAOA, GPR119 FFAR1 642/4885MAOB 1/4885PARP10 833/4885
US-20040034096-A1 3-Phenyl-propionamido, 3-phenyl-acrylamido and 3-phenyl-propynamido derivatives MAOB, MAOA, APP FFAR1 2999/4885MAOB 1/4885PARP10 788/4885

“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.