SCHEMBL439231

SCHEMBL439231

CC(C)c1nnc(C2CCC(C(=O)NCCN)CC2)o1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 6/20 0.42
MTNR1B P49286 6/20 0.42
TNKS O95271 1/20 0.38
PARP2 Q9UGN5 1/20 0.38
LMNA P02545 2/20 0.33
CCR5 P51681 1/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ENPP2 Q13822 1/20 0.33
ALDH1A1 P00352 3/20 0.32
HPGD P15428 1/20 0.32
GNAI3 P08754 1/20 0.32
GNAO1 P09471 1/20 0.32
GNAI1 P63096 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
MAPT P10636 1/20 0.32
EPHX2 P34913 2/20 0.32
HSD17B10 Q99714 1/20 0.32

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
SCHEMBL407315 1.00 MTNR1A (0.42) MTNR1AMTNR1BTNKSPARP2LMNA
Hydrochloric Acid SCHEMBL440113 0.99 MTNR1A (0.41) MTNR1AMTNR1BTNKSPARP2LMNA
Hydrochloric Acid SCHEMBL440114 0.99 MTNR1A (0.41) MTNR1AMTNR1BTNKSPARP2LMNA
SCHEMBL463715 0.87 MTNR1A (0.41) MTNR1AMTNR1BTNKSPARP2LMNA
SCHEMBL443224 0.82 KMT2A (0.43) MTNR1AMTNR1BTNKSPARP2HTT
SCHEMBL443223 0.82 KMT2A (0.43) MTNR1AMTNR1BTNKSPARP2HTT
SCHEMBL407984 0.77 ENPP2 (0.35) LMNACCR5HTTSMN1; SMN2ENPP2
SCHEMBL408780 0.77 ENPP2 (0.35) LMNACCR5HTTSMN1; SMN2ENPP2
SCHEMBL440763 0.77 MTNR1A (0.41) MTNR1AMTNR1BLMNACCR5HTT
SCHEMBL440762 0.77 MTNR1A (0.41) MTNR1AMTNR1BLMNACCR5HTT

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-20120065196-A1 AMIDE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-15 US disclosed
US-20120065196-A1 AMIDE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-15 US disclosed
WO-2008011130-A2 AMIDE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-01-24 WO disclosed
WO-2008011130-A2 AMIDE COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-01-24 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 (1 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-20120065196-A1 AMIDE COMPOUNDS DGAT2, DGAT1, DLAT MTNR1A 1862/4885MTNR1B 1684/4885TNKS 4718/4885

“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.