SCHEMBL3065098

SCHEMBL3065098

CC(=O)NCCc1ccc(Cl)cc1O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 5/20 0.58
MTNR1B P49286 5/20 0.58
KDM4E B2RXH2 3/20 0.51
HPGD P15428 3/20 0.51
BLM P54132 3/20 0.51
HSD17B10 Q99714 2/20 0.51
ALDH1A1 P00352 2/20 0.51
MAPT P10636 2/20 0.51
LMNA P02545 2/20 0.51
PTGS1 P23219 1/20 0.51
HIF1A Q16665 1/20 0.51
GFER P55789 1/20 0.49
PTGS2 P35354 1/20 0.49
CNR1 P21554 2/20 0.48
F13A1 P00488 1/20 0.47
CYP1A2 P05177 2/20 0.46
NOTUM Q6P988 2/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
IDO1 P14902 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
SCHEMBL19263974 0.84 MTNR1A (0.58) MTNR1AMTNR1BKDM4EHPGDBLM
SCHEMBL3074120 0.82 MTNR1A (0.59) MTNR1AMTNR1BKDM4EHPGDBLM
SCHEMBL3072566 0.82 MTNR1A (0.57) MTNR1AMTNR1BKDM4EHPGDBLM
SCHEMBL11465335 0.79 PTGS2 (0.58) MTNR1AMTNR1BKDM4EHPGDBLM
SCHEMBL16822043 0.79 MTNR1A (0.53) MTNR1AMTNR1BKDM4EHPGDBLM
SCHEMBL28001550 0.79 NPC1 (0.65) BLMMAPTHIF1AGFERCYP1A2
SCHEMBL5107971 0.78 MTNR1A (0.56) MTNR1AMTNR1BKDM4EHPGDBLM
SCHEMBL1039416 0.76 MTNR1A (0.63) MTNR1AMTNR1BKDM4EHPGDBLM
SCHEMBL16821974 0.76 MTNR1A (0.53) MTNR1AMTNR1BHSD17B10GFERPTGS2
SCHEMBL3075234 0.74 MTNR1A (0.58) MTNR1AMTNR1BKDM4EHPGDBLM

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.