SCHEMBL4853635

SCHEMBL4853635

CCCCCCCCN(Cc1ccccc1)C(CC(=O)O)C(C)C

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 2/20 0.44
SIGMAR1 Q99720 1/20 0.42
MMP1 P03956 5/20 0.41
MMP3 P08254 5/20 0.41
KCNH2 Q12809 1/20 0.40
PKM P14618 1/20 0.40
NPC1 O15118 1/20 0.40
JAK2 O60674 1/20 0.40
RAB9A P51151 1/20 0.40
PAX8 Q06710 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
MMP2 P08253 9/20 0.40
BCHE P06276 1/20 0.40
ACHE P22303 1/20 0.40

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
SCHEMBL4855389 0.99 CNR2 (0.43) CNR2SIGMAR1MMP1MMP3KCNH2
SCHEMBL4851181 0.95 SIGMAR1 (0.43) CNR2SIGMAR1PKMMEN1KMT2A
SCHEMBL4854100 0.89 BCHE (0.42) SIGMAR1KCNH2NPC1RAB9AMEN1
SCHEMBL4856092 0.86 SIGMAR1 (0.50) CNR2SIGMAR1MMP1MMP3KCNH2
SCHEMBL4857942 0.82 CNR2 (0.44) CNR2KCNH2PKMBCHEACHE
SCHEMBL9415984 0.79 SIGMAR1 (0.49) CNR2SIGMAR1MMP1MMP3KCNH2
SCHEMBL11597035 0.79 SIGMAR1 (0.49) CNR2SIGMAR1MMP1MMP3KCNH2
SCHEMBL23308021 0.78 SIGMAR1 (0.51) CNR2SIGMAR1KCNH2RAB9ABCHE
SCHEMBL666712 0.78 SIGMAR1 (0.51) CNR2SIGMAR1KCNH2RAB9ABCHE
SCHEMBL667263 0.78 SIGMAR1 (0.51) CNR2SIGMAR1KCNH2RAB9ABCHE

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 CNR2 1070/4885SIGMAR1 1339/4885MMP1 2256/4885

“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.