SCHEMBL5168448

SCHEMBL5168448

C[C@@H](CO)CC(N)c1ccc(C(=O)CCCCCC2CCCCC2)s1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MC4R P32245 2/20 0.36
MEN1 O00255 1/20 0.34
USP2 O75604 1/20 0.34
CYP3A4 P08684 1/20 0.34
ALOX15 P16050 1/20 0.34
KMT2A Q03164 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
NAAA Q02083 2/20 0.33
HPGD P15428 4/20 0.33
ACHE P22303 1/20 0.33
CYSLTR2 Q9NS75 1/20 0.32
CYSLTR1 Q9Y271 1/20 0.32
KDM5A P29375 2/20 0.32
PHF8 Q9UPP1 2/20 0.32
KDM2A Q9Y2K7 2/20 0.32
KDM4C Q9H3R0 1/20 0.32
KDM4A O75164 1/20 0.32
SPHK1 Q9NYA1 2/20 0.32
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31

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
SCHEMBL5168527 0.99 MC4R (0.36) MC4RMEN1USP2CYP3A4ALOX15
SCHEMBL5168776 0.96 MC4R (0.39) MC4RMEN1KMT2AHPGDNPC1
SCHEMBL6303118 0.81 CEL (0.34) MC4RMEN1KMT2ACYSLTR2CYSLTR1
SCHEMBL5167731 0.81 CEL (0.34) MC4RMEN1KMT2ACYSLTR2CYSLTR1
SCHEMBL6309598 0.80 CEL (0.34) MC4RMEN1KMT2ACYSLTR2CYSLTR1
SCHEMBL5168867 0.77 CES1 (0.40) TDP1ACHENPC1RAB9A
SCHEMBL5168641 0.76 TRPV3 (0.33) MC4R
SCHEMBL5167631 0.74 TRPV3 (0.34) MC4R
SCHEMBL5168436 0.73 TDP1 (0.39) MEN1USP2CYP3A4ALOX15KMT2A
SCHEMBL5168523 0.72 POLB (0.37) MEN1KMT2ATDP1NAAAHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1300405-B1 AMINO ALCOHOL DERIVATIVES SANKYO CO (JP) 2007-04-18 EP disclosed
US-6964976-B2 Amino alcohol derivatives SANKYO COMPANY, LIMITED (JP) 2005-11-15 US disclosed
US-20040132784-A1 Amino alcohol derivatives SANKYO COMPANY, LIMITED (JP) 2004-07-08 US disclosed
US-6723745-B2 PREVENTION OR TREATMENT OF AUTOIMMUNE DISEASE IN WARM BLOODED ANIMAL SANKYO COMPANY, LIMITED (JP) 2004-04-20 US disclosed
US-20030236297-A1 Amino alcohol derivatives SANKYO COMPANY, LIMITED (JP) 2003-12-25 US disclosed
EP-1300405-A1 AMINO ALCOHOL DERIVATIVES Sankyo Company, Limited (JP) 2003-04-09 EP 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-20030236297-A1 Amino alcohol derivatives CD4, ADH1C, ADH1A MC4R 3017/4885MEN1 1906/4885USP2 4080/4885
US-20040132784-A1 Amino alcohol derivatives CD4, ADH1C, ADH1A MC4R 3017/4885MEN1 1906/4885USP2 4080/4885

“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.