SCHEMBL4852973

SCHEMBL4852973

COC(=O)CC(Cc1ccc(I)cc1)NCc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.42
TRPM8 Q7Z2W7 1/20 0.42
MAOB P27338 1/20 0.41
ATM Q13315 3/20 0.41
ABCB1 P08183 1/20 0.41
FPR2 P25090 3/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
DPP7 Q9UHL4 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL4856050 0.92 SIGMAR1 (0.49) SIGMAR1TRPM8MAOBATMABCB1
SCHEMBL4857979 0.88 OPRD1 (0.46) SIGMAR1TRPM8MAOBATMABCB1
SCHEMBL4858501 0.87 NPC1 (0.52) MAOBATMMEN1KMT2A
SCHEMBL4857650 0.87 DPP7 (0.52) SIGMAR1TRPM8DPP7
SCHEMBL4854203 0.87 CA12 (0.51) SIGMAR1TRPM8MAOBKMT2A
SCHEMBL4889418 0.86 CPA1 (0.45) SIGMAR1FPR2DPP7
SCHEMBL4888648 0.86 CPA1 (0.45) SIGMAR1FPR2DPP7
SCHEMBL4888634 0.86 CPA1 (0.45) SIGMAR1FPR2DPP7
SCHEMBL4408805 0.84 MEN1 (0.48) SIGMAR1TRPM8ATMABCB1L3MBTL1
SCHEMBL1824286 0.82 MAOB (0.43) TRPM8MAOB

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
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

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 3910/4885MAOB 1506/4885

“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.