SCHEMBL8567308

SCHEMBL8567308

CC(C)(C)OC(=O)N1C[C@@H](CO)Cc2ccccc21

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.46
NR1H2 P55055 1/20 0.45
KDM1A O60341 1/20 0.44
MTNR1A P48039 5/20 0.42
MTNR1B P49286 5/20 0.42
BCHE P06276 1/20 0.42
HDAC1 Q13547 2/20 0.41
HDAC6 Q9UBN7 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
NOTUM Q6P988 1/20 0.40
MAPK1 P28482 1/20 0.39
KDM4E B2RXH2 1/20 0.39
PKM P14618 1/20 0.39
PRMT5 O14744 1/20 0.38
WDR77 Q9BQA1 1/20 0.38
ABCB1 P08183 1/20 0.38
GPR119 Q8TDV5 1/20 0.37

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
SCHEMBL8567303 1.00 NAMPT (0.46) NAMPTNR1H2KDM1AMTNR1AMTNR1B
SCHEMBL8567306 1.00 NAMPT (0.46) NAMPTNR1H2KDM1AMTNR1AMTNR1B
SCHEMBL16385106 1.00 NAMPT (0.46) NAMPTNR1H2KDM1AMTNR1AMTNR1B
SCHEMBL6410947 0.88 NAMPT (0.46) NAMPTKDM1AMTNR1AMTNR1BBCHE
SCHEMBL15521240 0.86 NAMPT (0.44) NAMPTKDM1AMTNR1AMTNR1BBCHE
SCHEMBL16384801 0.85 NAMPT (0.43) NAMPTKDM1AMTNR1AMTNR1BBCHE
SCHEMBL15520515 0.85 NAMPT (0.43) NAMPTKDM1AMTNR1AMTNR1BBCHE
SCHEMBL16353469 0.84 NAMPT (0.42) NAMPTKDM1AMTNR1AMTNR1BBCHE
SCHEMBL16353534 0.84 NAMPT (0.42) NAMPTKDM1AMTNR1AMTNR1BBCHE
SCHEMBL16353667 0.82 NOTUM (0.47) NAMPTKDM1ABCHEHDAC1HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3019623-B1 BIOCATALYZED SYNTHESIS OF THE OPTICALLY PURE (R) AND (S) 3-METHYL-1,2,3,4-TETRAHYDROQUINOLINE AND THEIR USE AS CHIRAL SYNTHONS FOR THE PREPARATION OF THE ANTITHROMBOTIC (21R)- AND (21S)-ARGATROBAN EUTICALS SPA (IT) 2018-11-28 EP claimed
US-9630923-B2 Biocatalyzed synthesis of the optically pure (R) and (S) 3-methyl-1,2,3,4-tetrahydroquinoline and their use as chiral synthons for the preparation of the antithrombic (21R)- and (21S)-argatroban EUTICALS SPA (IT) 2017-04-25 US claimed
US-20160122303-A1 Biocatalyzed synthesis of the optically pure (R) and (S) 3-methyl-1,2,3,4-tetrahydroquinoline and their use as chiral synthons for the preparation of the antithrombic (21R)- and (21S)-argatroban AMRI ITALY S.R.L. (IT) 2016-05-05 US claimed
EP-2824187-A1 Biocatalyzed synthesis of the optically pure (R) and (S) 3-methyl-1,2,3,4-tetrahydroquinoline and their use as chiral synthons for the preparation of the antithrombotic (21R)- and (21S)-argatroban Euticals S.P.A. (IT) 2015-01-14 EP claimed
EP-3019623-B1 BIOCATALYZED SYNTHESIS OF THE OPTICALLY PURE (R) AND (S) 3-METHYL-1,2,3,4-TETRAHYDROQUINOLINE AND THEIR USE AS CHIRAL SYNTHONS FOR THE PREPARATION OF THE ANTITHROMBOTIC (21R)- AND (21S)-ARGATROBAN EUTICALS SPA (IT) 2018-11-28 EP disclosed
US-9630923-B2 Biocatalyzed synthesis of the optically pure (R) and (S) 3-methyl-1,2,3,4-tetrahydroquinoline and their use as chiral synthons for the preparation of the antithrombic (21R)- and (21S)-argatroban EUTICALS SPA (IT) 2017-04-25 US disclosed
US-9630923-B2 Biocatalyzed synthesis of the optically pure (R) and (S) 3-methyl-1,2,3,4-tetrahydroquinoline and their use as chiral synthons for the preparation of the antithrombic (21R)- and (21S)-argatroban EUTICALS SPA (IT) 2017-04-25 US disclosed
US-20160122303-A1 Biocatalyzed synthesis of the optically pure (R) and (S) 3-methyl-1,2,3,4-tetrahydroquinoline and their use as chiral synthons for the preparation of the antithrombic (21R)- and (21S)-argatroban AMRI ITALY S.R.L. (IT) 2016-05-05 US disclosed
US-20160122303-A1 Biocatalyzed synthesis of the optically pure (R) and (S) 3-methyl-1,2,3,4-tetrahydroquinoline and their use as chiral synthons for the preparation of the antithrombic (21R)- and (21S)-argatroban AMRI ITALY S.R.L. (IT) 2016-05-05 US disclosed
WO-2015004015-A1 BIOCATALYZED SYNTHESIS OF THE OPTICALLY PURE (R) AND (S) 3-METHYL-1,2,3,4-TETRAHYDROQUINOLINE AND THEIR USE AS CHIRAL SYNTHONS FOR THE PREPARATION OF THE ANTITHROMBOTIC (21R)- AND (21S)-ARGATROBAN EUTICALS SPA (IT) 2015-01-15 WO disclosed
EP-2824187-A1 Biocatalyzed synthesis of the optically pure (R) and (S) 3-methyl-1,2,3,4-tetrahydroquinoline and their use as chiral synthons for the preparation of the antithrombotic (21R)- and (21S)-argatroban Euticals S.P.A. (IT) 2015-01-14 EP disclosed
EP-2824187-A1 Biocatalyzed synthesis of the optically pure (R) and (S) 3-methyl-1,2,3,4-tetrahydroquinoline and their use as chiral synthons for the preparation of the antithrombotic (21R)- and (21S)-argatroban Euticals S.P.A. (IT) 2015-01-14 EP disclosed
US-5719141-A HYPOTENSIVE AGENTS NOVARTIS CORPORATION (US) 1998-02-17 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-20160122303-A1 Biocatalyzed synthesis of the optically pure (R) and (S) 3-methyl-1,2,3,4-tetrahydroquinoline and their use as chiral synthons for the preparation of the antithrombic (21R)- and (21S)-argatroban CYP2S1, PRMT3, ARGLU1 NAMPT 1849/4885NR1H2 1702/4885KDM1A 1040/4885

“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.