SCHEMBL10076430

SCHEMBL10076430

CCOC(=O)CC#CCN(C)C(COCc1ccccc1)Cc1ccc(C)cc1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAOB P27338 5/20 0.52
ALOX5 P09917 1/20 0.39
KMT2A Q03164 1/20 0.37
HSD11B1 P28845 1/20 0.36
CTSS P25774 1/20 0.36
CTSL P07711 1/20 0.36
CTSK P43235 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.35
ATM Q13315 1/20 0.35
ALDH1A1 P00352 3/20 0.35
CNR1 P21554 1/20 0.35
LMNA P02545 1/20 0.35
POLB P06746 1/20 0.35
HSD17B10 Q99714 1/20 0.35
TACR1 P25103 1/20 0.35
MMP8 P22894 1/20 0.35

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
SCHEMBL10076427 0.91 MAOB (0.57) MAOBALOX5CTSSCTSLALDH1A1
SCHEMBL10076433 0.79 MAOB (0.58) MAOBALDH1A1LMNATACR1
SCHEMBL10076432 0.72 MAOB (0.38) MAOBKMT2A
SCHEMBL16552350 0.68 MAOB (1.00) MAOBALOX5
Toluene SCHEMBL7572108 0.68 CA1 (0.50) L3MBTL1ALDH1A1LMNAPOLBTACR1
SCHEMBL3215334 0.68 PPID (0.48) ALOX5KMT2AL3MBTL1ALDH1A1
SCHEMBL14077134 0.68 MAOB (0.56) MAOBTACR1
SCHEMBL52219 0.68 ALDH1A1 (0.52) KMT2AL3MBTL1ALDH1A1LMNA
SCHEMBL7655537 0.67 TSHR (0.40) MAOBL3MBTL1ATMALDH1A1LMNA
SCHEMBL17680423 0.67 CA1 (0.58) KMT2APOLBTACR1

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-20140155355-A1 MAO-B INHIBITORS USEFUL FOR TREATING OBESITY JENRIN DISCOVERY, INC. 2014-06-05 US disclosed
US-20120015909-A1 MAO-B INHIBITORS USEFUL FOR TREATING OBESITY JENRIN DISCOVERY (US) 2012-01-19 US disclosed
US-7956220-B2 MAO-B inhibitors useful for treating obesity JENRIN DISCOVERY (US) 2011-06-07 US disclosed
US-20070004683-A1 MAO-B INHIBITORS USEFUL FOR TREATING OBESITY JENRIN DISCOVERY (US) 2007-01-04 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 (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-20120015909-A1 MAO-B INHIBITORS USEFUL FOR TREATING OBESITY MAOB, MAOA, GPR119 MAOB 1/4885ALOX5 657/4885KMT2A 489/4885
US-20070004683-A1 MAO-B INHIBITORS USEFUL FOR TREATING OBESITY MAOB, MAOA, GPR119 MAOB 1/4885ALOX5 657/4885KMT2A 489/4885
US-20140155355-A1 MAO-B INHIBITORS USEFUL FOR TREATING OBESITY MAOB, MAOA, GPR119 MAOB 1/4885ALOX5 657/4885KMT2A 489/4885

“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.