SCHEMBL1063983

SCHEMBL1063983

CCN(CC)[C@@H](Cc1ccccc1)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.52
ALPI P09923 1/20 0.48
PKM P14618 1/20 0.48
PTGS1 P23219 1/20 0.48
XIAP P98170 1/20 0.48
SLC7A5 Q01650 1/20 0.48
PGR P06401 1/20 0.47
ADRA2A P08913 1/20 0.47
ADRA2B P18089 1/20 0.47
HTR2A P28223 1/20 0.47
HRH1 P35367 1/20 0.47
KCNH2 Q12809 1/20 0.47
MAPT P10636 2/20 0.46
ALDH1A1 P00352 2/20 0.46
CPA1 P15085 3/20 0.46
CPA3 P15088 2/20 0.46
FOLH1 Q04609 1/20 0.46
CPB1 P15086 1/20 0.46
CPB2 Q96IY4 1/20 0.46
ADAMTS5 Q9UNA0 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
SCHEMBL1063981 1.00 CYP1A2 (0.52) CYP1A2ALPIPKMPTGS1XIAP
SCHEMBL28810476 0.90 ALDH1A1 (0.52) MAPTALDH1A1CPA1ADAMTS5SRR
SCHEMBL28810475 0.90 ALDH1A1 (0.52) MAPTALDH1A1CPA1ADAMTS5SRR
SCHEMBL16450888 0.87 ALPI (0.47) CYP1A2ALPIPKMPTGS1XIAP
SCHEMBL30736141 0.86 SLC7A5 (0.51) SLC7A5CPA1FOLH1POLB
SCHEMBL9225983 0.86 CYP1A2 (0.48) CYP1A2ALPIPKMPTGS1XIAP
SCHEMBL9225980 0.86 CYP1A2 (0.48) CYP1A2ALPIPKMPTGS1XIAP
SCHEMBL4237993 0.85 KCNH2 (0.47) CYP1A2KCNH2NPC1RAB9ALMNA
SCHEMBL16449790 0.84 PGR (0.47) CYP1A2ALPIPKMPTGS1XIAP
SCHEMBL16572639 0.84 CYP1A2 (0.50) CYP1A2ALPIPKMPTGS1XIAP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118908873-A Amino acid derivatization reagent pair based on unstable isotope labeling and preparation method and application thereof 郑州大学 2024-11-08 CN claimed
CN-118908873-B Amino acid derivatization reagent pair based on unstable isotope labeling and preparation method and application thereof 郑州大学 2025-10-03 CN disclosed
CN-118908873-A Amino acid derivatization reagent pair based on unstable isotope labeling and preparation method and application thereof 郑州大学 2024-11-08 CN disclosed
CN-118908873-A Amino acid derivatization reagent pair based on unstable isotope labeling and preparation method and application thereof 郑州大学 2024-11-08 CN disclosed
US-20240036055-A1 Multiplexed DiLeu-Biotin-Azide (DBA) Tag Enabled Isobaric Tandem Orthogonal Proteolysis Activity-Based Protein Profiling (isoBOP-ABPP) Platform For High-Throughput Quantitative Pan-PTM Analysis WISCONSIN ALUMNI RESEARCH FOUNDATION 2024-02-01 US disclosed
WO-2018178397-A1 N-ALKYLATED AMINO ACIDS AND OLIGOPEPTIDES, USES THEREOF AND METHODS FOR PROVIDING THEM. RIJKSUNIVERSITEIT GRONINGEN (NL) 2018-10-04 WO disclosed
EP-2861610-A1 N-SUBSTITUTED SECOND GENERATION DERIVATIVES OF ANTIFUNGAL ANTIBIOTIC AMPHOTERICIN B AND METHODS OF THEIR PREPARATION AND APPLICATION Blirt S.A. (PL) 2015-04-22 EP disclosed
CN-104520309-A N-substituted second generation derivatives of antifungal antibiotic amphotericin B and methods of their preparation and application BLIRT SA 2015-04-15 CN disclosed
US-20150079179-A1 SUSTAINED RELEASE FORMULATIONS OF PEPTIDOMIMETIC DRUGS AND USES THEREOF JERINI OPHTHALMIC INC (US) 2015-03-19 US disclosed
WO-2013186384-A1 N-SUBSTITUTED SECOND GENERATION DERIVATIVES OF ANTIFUNGAL ANTIBIOTIC AMPHOTERICIN B AND METHODS OF THEIR PREPARATION AND APPLICATION BLIRT S.A. (PL) 2013-12-19 WO disclosed
US-20120244192-A1 SUSTAINED RELEASE FORMULATIONS OF PEPTIDOMIMETIC DRUGS AND USES THEREOF JERINI OPHTHALMIC INC. 2012-09-27 US disclosed
US-20110003756-A1 C5a Receptor Antagonists JERINI AG (DE) 2011-01-06 US disclosed
US-7727960-B2 C5a receptor antagonists JERINI AG (DE) 2010-06-01 US disclosed
US-20080161232-A1 C5a is a cleavage product of the complement cascade, the CS convertase; antiinflammatory agents; autoimmune diseases; cyclic peptide compounds JERINI AG (DE) 2008-07-03 US disclosed
CN-101107264-A C5a receptor antagonists JERINI AG (DE) 2008-01-16 CN disclosed
US-20060183883-A1 C5a Receptor antagonists JERINI AG (DE) 2006-08-17 US disclosed
EP-0642530-A1 DERIVATIVES OF DOLASTATIN BASF Aktiengesellschaft (DE) 1995-03-15 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 (3 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-20060183883-A1 C5a Receptor antagonists C5AR1, C3AR1, C5AR2 CYP1A2 1583/4885ALPI 4882/4885PKM 4260/4885
US-20110003756-A1 C5a Receptor Antagonists C5AR1, C3AR1, C5AR2 CYP1A2 1313/4885ALPI 4868/4885PKM 4353/4885
US-20080161232-A1 C5a is a cleavage product of the complement cascade, the CS convertase; antiinflammatory agents; autoimmune diseases; cyclic peptide compounds C3AR1, C5, C5AR1 CYP1A2 2945/4885ALPI 4766/4885PKM 4445/4885

“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.