SCHEMBL4856050

SCHEMBL4856050

COC(=O)CC(Cc1ccccc1)NCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.49
TRPM8 Q7Z2W7 1/20 0.47
ATM Q13315 3/20 0.47
ABCB1 P08183 2/20 0.46
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
MAOB P27338 1/20 0.43
CYP3A4 P08684 1/20 0.43
MAPK1 P28482 1/20 0.43
MMP1 P03956 2/20 0.43
SRR Q9GZT4 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
MAPT P10636 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
SCHEMBL4857979 0.93 OPRD1 (0.46) SIGMAR1TRPM8ATMABCB1MAOB
SCHEMBL4408805 0.92 MEN1 (0.48) SIGMAR1TRPM8ATMABCB1MEN1
SCHEMBL4857650 0.92 DPP7 (0.52) SIGMAR1TRPM8
SCHEMBL4854203 0.92 CA12 (0.51) SIGMAR1TRPM8KMT2AMAOBNPC1
SCHEMBL4858501 0.92 NPC1 (0.52) ATMMEN1KMT2AMAOBMMP1
SCHEMBL4852973 0.92 SIGMAR1 (0.42) SIGMAR1TRPM8ATMABCB1MEN1
SCHEMBL15096356 0.88 SIGMAR1 (0.49) SIGMAR1ABCB1MAOBCYP3A4MAPK1
SCHEMBL4855282 0.88 KMT2A (0.44) SIGMAR1TRPM8MEN1KMT2AL3MBTL1
SCHEMBL8996651 0.88 KMT2A (0.44) SIGMAR1TRPM8MEN1KMT2AL3MBTL1
SCHEMBL4856075 0.88 MEN1 (0.44) SIGMAR1TRPM8ATMABCB1MEN1

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
EP-1493819-B1 PROCESS FOR PRODUCING EITHER OPTICALLY ACTIVE N-SUBSTITUTED BETA-AMINO ACID AND OPTICALLY ACTIVE N-SUBSTITUTED BETA-AMINO ACID ESTER OR OPTICALLY ACTIVE N-SUBSTITUTED 2-HOMOPIPECOLIC ACID AND OPTICALLY ACTIVE N-SUBSTITUTED 2-HOMOPIPECOLIC ACID ESTER UBE INDUSTRIES (JP) 2014-11-12 EP disclosed
US-7449325-B2 Process for enzymatically producing either optically active N-substituted β-amino acids or esters thereof or optically active N-substituted 2-homopipecolic acids or esters thereof UBE INDUSTRIES, LTD. (JP) 2008-11-11 US disclosed
US-20050170473-A1 Process for producing either optically active n-substituted beta-amino acid and optically active n-substituted beta-amino acid ester or optically active n-substituted 2-homopipecolic acid and optically active n-substituted 2-homopipecolic acid ester UBE INDUSTRIES, LTD. (JP) 2005-08-04 US disclosed
EP-1493819-A1 PROCESS FOR PRODUCING EITHER OPTICALLY ACTIVE N-SUBSTITUTED BETA-AMINO ACID AND OPTICALLY ACTIVE N-SUBSTITUTED BETA-AMINO ACID ESTER OR OPTICALLY ACTIVE N-SUBSTITUTED 2-HOMOPIPECOLIC ACID AND OPTICALLY ACTIVE N-SUBSTITUTED 2-HOMOPIPECOLIC ACID ESTER Ube Industries, Ltd. (JP) 2005-01-05 EP disclosed
CN-1043125-A Be used as the aryl urea of the replacement of high-potency sweetener NUTRASWEET CO (US) 1990-06-20 CN disclosed
WO-1990002112-A1 SUBSTITUTED ARYL UREAS AS HIGH POTENCY SWEETENERS THE NUTRASWEET COMPANY (US) 1990-03-08 WO disclosed
EP-0355819-A1 Substituted aryl ureas as high potency sweeteners THE NUTRASWEET COMPANY (a Delaware corporation) (US) 1990-02-28 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 (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-20050170473-A1 Process for producing either optically active n-substituted beta-amino acid and optically active n-substituted beta-amino acid ester or optically active n-substituted 2-homopipecolic acid and optically active n-substituted 2-homopipecolic acid ester CYP8B1, SRR, HM13 SIGMAR1 1339/4885TRPM8 3910/4885ATM 3793/4885

“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.