SCHEMBL365455

SCHEMBL365455

CCC[C@@H](CN[C@H](C)c1ccccc1)CC(=O)O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ APAF1 O14727 1/20 0.58
▸ ANPEP P15144 1/20 0.49
▸ POLB P06746 2/20 0.48
▸ CYP3A4 P08684 2/20 0.46
▸ CASR P41180 2/20 0.46
▸ CHRM2 P08172 1/20 0.46
▸ HTR1A P08908 1/20 0.46
▸ ADRA2A P08913 1/20 0.46
▸ ADORA3 P0DMS8 1/20 0.46
▸ CHRM1 P11229 1/20 0.46
▸ SMPD1 P17405 1/20 0.46
▸ DRD1 P21728 1/20 0.46
▸ TBXA2R P21731 1/20 0.46
▸ SLC6A2 P23975 1/20 0.46
▸ SLC6A4 P31645 1/20 0.46
▸ ADRA1A P35348 1/20 0.46
▸ OPRM1 P35372 1/20 0.46
▸ DRD3 P35462 1/20 0.46
▸ HTR2B P41595 1/20 0.46
▸ SLC6A3 Q01959 1/20 0.46

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
SCHEMBL363835 1.00 APAF1 (0.58) APAF1ANPEPPOLBCYP3A4CASR
SCHEMBL2226693 1.00 APAF1 (0.58) APAF1ANPEPPOLBCYP3A4CASR
SCHEMBL364026 1.00 APAF1 (0.58) APAF1ANPEPPOLBCYP3A4CASR
SCHEMBL363944 1.00 APAF1 (0.58) APAF1ANPEPPOLBCYP3A4CASR
SCHEMBL364025 1.00 APAF1 (0.58) APAF1ANPEPPOLBCYP3A4CASR
SCHEMBL363948 1.00 APAF1 (0.58) APAF1ANPEPPOLBCYP3A4CASR
SCHEMBL365764 1.00 APAF1 (0.58) APAF1ANPEPPOLBCYP3A4CASR
SCHEMBL2226839 1.00 APAF1 (0.58) APAF1ANPEPPOLBCYP3A4CASR
SCHEMBL366001 0.89 APAF1 (0.59) APAF1ANPEPPOLBCYP3A4CASR
SCHEMBL364046 0.89 APAF1 (0.59) APAF1ANPEPPOLBCYP3A4CASR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8716520-B2 Method of resolution of (RS)- 1,1′-BI-2-naphthol for obtaining enantiomeric pure I.E. (S)-(−)-1,1′-BI-2-naphthol and/or (R)-(+)-1,1′-BI-2-naphthol via co-crystal formation with optically active derivatives of γ-amino acids LUPIN LIMITED (IN) 2014-05-06 — — US claimed
US-20120316361-A1 METHOD OF RESOLUTION OF (RS)- 1,1'-BI-2-NAPHTHOL FOR OBTAINING ENANTIOMERIC PURE I.E. (S)-(-)-1,1'-BI-2-NAPHTHOL AND/OR (R)-(+)-1,1'-BI-2-NAPHTHOL VIA CO-CRYSTAL FORMATION WITH OPTICALLY ACTIVE DERIVATIVES OF y -AMINO ACIDS LUPIN LIMITED (IN) 2012-12-13 — — US claimed
US-8716520-B2 Method of resolution of (RS)- 1,1′-BI-2-naphthol for obtaining enantiomeric pure I.E. (S)-(−)-1,1′-BI-2-naphthol and/or (R)-(+)-1,1′-BI-2-naphthol via co-crystal formation with optically active derivatives of γ-amino acids LUPIN LIMITED (IN) 2014-05-06 — — US disclosed
US-8716520-B2 Method of resolution of (RS)- 1,1′-BI-2-naphthol for obtaining enantiomeric pure I.E. (S)-(−)-1,1′-BI-2-naphthol and/or (R)-(+)-1,1′-BI-2-naphthol via co-crystal formation with optically active derivatives of γ-amino acids LUPIN LIMITED (IN) 2014-05-06 — — US disclosed
US-8716520-B2 Method of resolution of (RS)- 1,1′-BI-2-naphthol for obtaining enantiomeric pure I.E. (S)-(−)-1,1′-BI-2-naphthol and/or (R)-(+)-1,1′-BI-2-naphthol via co-crystal formation with optically active derivatives of γ-amino acids LUPIN LIMITED (IN) 2014-05-06 — — US disclosed
US-20120316361-A1 METHOD OF RESOLUTION OF (RS)- 1,1'-BI-2-NAPHTHOL FOR OBTAINING ENANTIOMERIC PURE I.E. (S)-(-)-1,1'-BI-2-NAPHTHOL AND/OR (R)-(+)-1,1'-BI-2-NAPHTHOL VIA CO-CRYSTAL FORMATION WITH OPTICALLY ACTIVE DERIVATIVES OF y -AMINO ACIDS LUPIN LIMITED (IN) 2012-12-13 — — US disclosed
US-20120316361-A1 METHOD OF RESOLUTION OF (RS)- 1,1'-BI-2-NAPHTHOL FOR OBTAINING ENANTIOMERIC PURE I.E. (S)-(-)-1,1'-BI-2-NAPHTHOL AND/OR (R)-(+)-1,1'-BI-2-NAPHTHOL VIA CO-CRYSTAL FORMATION WITH OPTICALLY ACTIVE DERIVATIVES OF y -AMINO ACIDS LUPIN LIMITED (IN) 2012-12-13 — — US disclosed
US-20120316361-A1 METHOD OF RESOLUTION OF (RS)- 1,1'-BI-2-NAPHTHOL FOR OBTAINING ENANTIOMERIC PURE I.E. (S)-(-)-1,1'-BI-2-NAPHTHOL AND/OR (R)-(+)-1,1'-BI-2-NAPHTHOL VIA CO-CRYSTAL FORMATION WITH OPTICALLY ACTIVE DERIVATIVES OF y -AMINO ACIDS LUPIN LIMITED (IN) 2012-12-13 — — US disclosed
WO-2012007814-A2 THREE COMPONENT CO-CRYSTAL FORMATION BETWEEN DIASTEREOMERIC MIXTURES OF 3-ALKYL-4-((S)-1'PHENYLETHYLAMINO) BUTANOIC ACID AND OPTICALLY PURE 1, 1'-BI-2-NAPHTHOL LUPIN LIMITED (IN) 2012-01-19 — — WO disclosed
WO-2011086565-A1 METHOD FOR PREPARATION OF ENANTIOMERICALLY ENRICHED AND/OR RACEMIC GAMMA-AMINO ACIDS LUPIN LIMITED (IN) 2011-07-21 — — WO disclosed
WO-2011086566-A1 METHOD OF RESOLUTION OF (RS) - 1, 1 ' - BI - 2 - NAPHTHOL FOR OBTAINING ENANTIOMERIC PURE I.E. (S) - (-) \" 1, 1 ' \"BI - 2 -NAPHTHOL AND/OR (R) - ( ) - 1, 1 ' - BI - 2 - NAPHTHOL VIA CO - CRYSTAL FORMATION WITH OPTICALLY ACTIVE DERIVATIVES OF GAMMA -AMINO ACIDS LUPIN LIMITED (IN) 2011-07-21 — — WO disclosed
WO-2011086566-A1 METHOD OF RESOLUTION OF (RS) - 1, 1 ' - BI - 2 - NAPHTHOL FOR OBTAINING ENANTIOMERIC PURE I.E. (S) - (-) \" 1, 1 ' \"BI - 2 -NAPHTHOL AND/OR (R) - ( ) - 1, 1 ' - BI - 2 - NAPHTHOL VIA CO - CRYSTAL FORMATION WITH OPTICALLY ACTIVE DERIVATIVES OF GAMMA -AMINO ACIDS LUPIN LIMITED (IN) 2011-07-21 — — WO 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-20120316361-A1 METHOD OF RESOLUTION OF (RS)- 1,1'-BI-2-NAPHTHOL FOR OBTAINING ENANTIOMERIC PURE I.E. (S)-(-)-1,1'-BI-2-NAPHTHOL AND/OR (R)-(+)-1,1'-BI-2-NAPHTHOL VIA CO-CRYSTAL FORMATION WITH OPTICALLY ACTIVE DERIVATIVES OF y -AMINO ACIDS RRS1, RER1, QTRT1 APAF1 4563/4885ANPEP 1997/4885POLB 1375/4885

“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.

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