SCHEMBL3072566

SCHEMBL3072566

CC(=O)NCCc1ccc(C)cc1O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 6/20 0.57
MTNR1B P49286 6/20 0.57
KDM4E B2RXH2 4/20 0.55
HSD17B10 Q99714 2/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
BLM P54132 3/20 0.53
ALDH1A1 P00352 2/20 0.53
MAPT P10636 2/20 0.53
HPGD P15428 2/20 0.53
LMNA P02545 2/20 0.53
PTGS1 P23219 2/20 0.53
HIF1A Q16665 1/20 0.53
PTGS2 P35354 2/20 0.50
F13A1 P00488 1/20 0.49
CYP1A2 P05177 2/20 0.47
NOTUM Q6P988 2/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
IDO1 P14902 1/20 0.47
SPR P35270 1/20 0.47

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
SCHEMBL6252876 0.85 MTNR1A (0.58) MTNR1AMTNR1BKDM4EHSD17B10SMN1; SMN2
SCHEMBL3074120 0.83 MTNR1A (0.59) MTNR1AMTNR1BKDM4EHSD17B10BLM
SCHEMBL3065098 0.82 MTNR1A (0.58) MTNR1AMTNR1BKDM4EHSD17B10BLM
SCHEMBL11465335 0.81 PTGS2 (0.58) MTNR1AMTNR1BKDM4EHSD17B10BLM
SCHEMBL1039416 0.77 MTNR1A (0.63) MTNR1AMTNR1BKDM4EHSD17B10BLM
SCHEMBL24460220 0.76 MTNR1A (0.80) MTNR1AMTNR1BKDM4EHSD17B10SMN1; SMN2
SCHEMBL10033818 0.76 PTGS2 (0.56) MTNR1AMTNR1BKDM4EHSD17B10SMN1; SMN2
SCHEMBL3075234 0.75 MTNR1A (0.58) MTNR1AMTNR1BKDM4EHSD17B10BLM
SCHEMBL27696939 0.75 POLB (0.47)
SCHEMBL16520423 0.75 MTNR1A (0.46) MTNR1AMTNR1BKDM4EHSD17B10SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7842688-B2 Organic compounds NOVARTIS PHARMA AG (CH) 2010-11-30 US disclosed
US-7790715-B2 Organic compounds NOVARTIS AG (CH) 2010-09-07 US disclosed
US-20090012055-A1 Organic compounds HEROLD PETER 2009-01-08 US disclosed
EP-1961752-A2 Piperidine Compounds Speedel Experimenta AG (CH) 2008-08-27 EP disclosed
US-20070010511-A1 Organic compounds NOVARTIS PHARMA AG (CH) 2007-01-11 US disclosed
EP-1670760-A1 ORGANIC COMPOUNDS Speedel Experimenta AG (CH) 2006-06-21 EP disclosed
WO-2005061457-A1 ORGANIC COMPOUNDS SPEEDEL EXPERIMENTA AG (CH) 2005-07-07 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-20090012055-A1 Organic compounds REN, ACE, ACE2 MTNR1A 2695/4885MTNR1B 1389/4885KDM4E 1843/4885
US-20070010511-A1 Organic compounds REN, ACE, ACE2 MTNR1A 2695/4885MTNR1B 1389/4885KDM4E 1843/4885

“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.