SCHEMBL463719

SCHEMBL463719

O=C(NCCNCl)C1CCC(C(=O)c2ccccc2)CC1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 2/20 0.46
MTNR1B P49286 2/20 0.46
NPC1 O15118 1/20 0.45
PKM P14618 1/20 0.45
EPHX2 P34913 1/20 0.45
RAB9A P51151 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
USP2 O75604 1/20 0.44
ALDH1A1 P00352 1/20 0.44
HPGD P15428 1/20 0.44
HTR2A P28223 2/20 0.43
LMNA P02545 1/20 0.42
KDM4E B2RXH2 1/20 0.42
KMT2A Q03164 2/20 0.42
POLB P06746 1/20 0.42
HTR2C P28335 1/20 0.42
HTR2B P41595 1/20 0.42
MGLL Q99685 1/20 0.42
MEN1 O00255 1/20 0.42

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
Hydrochloric Acid SCHEMBL439363 0.82 MC4R (0.51) MTNR1AMTNR1BNPC1PKMEPHX2
Hydrochloric Acid SCHEMBL439362 0.82 MC4R (0.51) MTNR1AMTNR1BNPC1PKMEPHX2
SCHEMBL440735 0.79 PKM (0.45) NPC1PKMEPHX2RAB9ASMN1; SMN2
SCHEMBL440734 0.79 PKM (0.45) NPC1PKMEPHX2RAB9ASMN1; SMN2
SCHEMBL18428493 0.77 HTR2A (0.56) ALDH1A1HTR2AKMT2AHTR2CHTR2B
SCHEMBL324342 0.77 HTR2A (0.56) ALDH1A1HTR2AKMT2AHTR2CHTR2B
Bicarbonate SCHEMBL11468689 0.75 HTR2A (0.54) ALDH1A1HTR2AKMT2AHTR2CHTR2B
SCHEMBL10184513 0.73 DGAT1 (0.49) NPC1RAB9AALDH1A1LMNAKMT2A
SCHEMBL3189768 0.73 SMN1; SMN2 (0.61) MTNR1AMTNR1BNPC1PKMEPHX2
SCHEMBL28002154 0.72 MGLL (0.51) ALDH1A1HTR2AKMT2AHTR2CHTR2B

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 1 patent. 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

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 1684/4885NPC1 142/4885

“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.