SCHEMBL3865062

SCHEMBL3865062

CC[C@H](N)c1ccccc1C

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.46
TSHR P16473 2/20 0.39
ACHE P22303 1/20 0.39
SCN4A P35499 5/20 0.39
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
SLC6A4 P31645 1/20 0.36
ACP3 P15309 1/20 0.36
CYP3A4 P08684 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
MC4R P32245 1/20 0.36

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
SCHEMBL382196 1.00 ESR1 (0.46) ESR1TSHRACHESCN4AMAOA
SCHEMBL3863813 1.00 ESR1 (0.46) ESR1TSHRACHESCN4AMAOA
Hydrochloric Acid SCHEMBL20238422 0.98 ESR1 (0.45) ESR1TSHRACHESCN4AMAOA
Hydrochloric Acid SCHEMBL4935577 0.98 ESR1 (0.45) ESR1TSHRACHESCN4AMAOA
SCHEMBL3678678 0.85 TSHR (0.44) TSHRMAOASLC6A4
SCHEMBL5147323 0.83 ADRA2A (0.39) ESR1TSHRSCN4AMAOAMAOB
SCHEMBL15295186 0.83 ESR1 (0.43) ESR1TSHRACHESCN4AMAOA
SCHEMBL15295134 0.83 ESR1 (0.43) ESR1TSHRACHESCN4AMAOA
SCHEMBL7591099 0.82 ESR1 (0.46) ESR1TSHRACHESCN4AMAOA
SCHEMBL28448173 0.82 ESR1 (0.46) ESR1TSHRACHESCN4AMAOA

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 38 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3250230-A1 MODULATORS OF COMPLEMENT ACTIVITY RA Pharmaceuticals, Inc. (US) 2017-12-06 EP disclosed
WO-2016123371-A1 MODULATORS OF COMPLEMENT ACTIVITY RA PHARMACEUTICALS, INC. (US) 2016-08-04 WO disclosed
US-7576234-B2 Michael-type addition of a nucleophile to a dialkyl 2-methylidenylpropan-1,3-dioate and the conversion of a ester moiety into an amino moiety; S)-2-methylcysteine; desferrithiocin GENZYME CORPORATION (US) 2009-08-18 US disclosed
EP-1529037-B1 SYNTHESIS OF 2-ALKYLCYSTEINES, 2-(HYDROXYLATED PHENYL)-4-ALKYLTHIAZOLINE-4-CARBOXYLIC ACIDS AND DERIVATIVES THEREOF GENZYME CORP (US) 2009-07-15 EP disclosed
US-20080255081-A1 Antioxidant and radical scavenging activity of synthetic analogs of desferrithiocin UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. (US) 2008-10-16 US disclosed
EP-1694659-B1 THIADIAZOLES AS CXC- AND CC- CHEMOKINE RECEPTOR LIGANDS SCHERING CORP (US) 2008-08-27 EP disclosed
US-7285676-B2 Synthesis of chiral 2-alkyl amino acids GENZYME CORPORATION (US) 2007-10-23 US disclosed
US-7285670-B2 Synthesis of substituted thiazoline carboxylic acids GENZYME CORPORATION (US) 2007-10-23 US disclosed
US-20060281926-A1 Synthesis of 2-alkylcysteine via phase transfer catalysis GIMI RAYOMAND H 2006-12-14 US disclosed
US-20060235026-A1 Quinoline-4-Carboxamide Derivatives as NK-3 and NK-2 Receptor Antagonists GlaxoSmithKline S.P.A. & Laboratoire 2006-10-19 US disclosed
US-20040077658-A1 Quinoline-4-carboxamide derivatives as nk-3 and nk-2 receptor antagonists GLAXOSMITHKLINE S.P.A. (IT) 2004-04-22 US disclosed
US-20040044220-A1 Antioxidant and radical scavenging activity of synthetic analogs of desferrithiocin UNIVERSITY OF FLORIDA 2004-03-04 US disclosed
US-20040024224-A1 Synthesis of 2-alkyl amino acids GENZYME CORPORATION (US) 2004-02-05 US disclosed
US-20040006224-A1 Synthesis of 2-alkyl amino acids GENZYME CORPORATION 2004-01-08 US disclosed
US-20030236435-A1 Synthesis of 2-alkylcysteine via substituted thiazoline ester GENZYME CORPORATION 2003-12-25 US disclosed
US-20030236434-A1 Synthesis of 2-alkylcysteine via substituted thiazoline amide GENZYME CORPORATION (US) 2003-12-25 US disclosed
US-20030236404-A1 Synthesis of 2-alkylcysteine via phase transfer catalysis GENZYME CORPORATION 2003-12-25 US disclosed
US-20030229231-A1 Synthesis of 2-alkylcysteine GENZYME CORPORATION 2003-12-11 US disclosed
US-20030225287-A1 Synthesis of chiral 2-alkyl amino acids GENZYME CORPORATION 2003-12-04 US disclosed
US-20030212101-A1 Quinoline-4-carboxamide derivatives as NK-3 and NK-2 receptor antagonists SMITHKLINE BEECHAM S.P.A. (IT) 2003-11-13 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 (13 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-20030225287-A1 Synthesis of chiral 2-alkyl amino acids FTH1, CISD2, PTMS ESR1 4183/4885TSHR 220/4885ACHE 4735/4885
US-20030236404-A1 Synthesis of 2-alkylcysteine via phase transfer catalysis DIMT1, ICMT, CNDP2 ESR1 4055/4885TSHR 1787/4885ACHE 4032/4885
US-20030236435-A1 Synthesis of 2-alkylcysteine via substituted thiazoline ester FTH1, TFRC, CNDP2 ESR1 2636/4885TSHR 178/4885ACHE 4134/4885
US-20060235026-A1 Quinoline-4-Carboxamide Derivatives as NK-3 and NK-2 Receptor Antagonists CNR1, HRH4, HRH3 ESR1 1698/4885TSHR 325/4885ACHE 3787/4885
US-20030212101-A1 Quinoline-4-carboxamide derivatives as NK-3 and NK-2 receptor antagonists KCNH2, KCNA6, KCNA3 ESR1 3145/4885TSHR 631/4885ACHE 4209/4885
US-20030229231-A1 Synthesis of 2-alkylcysteine FTH1, CISD2, CNDP2 ESR1 4470/4885TSHR 499/4885ACHE 4735/4885
US-20040044220-A1 Antioxidant and radical scavenging activity of synthetic analogs of desferrithiocin TXNRD2, PRDX3, SOD1 ESR1 3777/4885TSHR 977/4885ACHE 4255/4885
US-20040024224-A1 Synthesis of 2-alkyl amino acids PTMS, DNPEP, CNDP2 ESR1 4331/4885TSHR 728/4885ACHE 4844/4885
US-20040077658-A1 Quinoline-4-carboxamide derivatives as nk-3 and nk-2 receptor antagonists HRH4, HRH2, HRH3 ESR1 4012/4885TSHR 556/4885ACHE 4183/4885
US-20080255081-A1 Antioxidant and radical scavenging activity of synthetic analogs of desferrithiocin TXNRD2, PRDX3, SOD1 ESR1 3777/4885TSHR 977/4885ACHE 4255/4885
US-20040006224-A1 Synthesis of 2-alkyl amino acids ASNS, AAAS, FTH1 ESR1 3774/4885TSHR 399/4885ACHE 4802/4885
US-20030236434-A1 Synthesis of 2-alkylcysteine via substituted thiazoline amide CNDP2, FTH1, PTMS ESR1 3601/4885TSHR 485/4885ACHE 3826/4885
US-20060281926-A1 Synthesis of 2-alkylcysteine via phase transfer catalysis DIMT1, ICMT, CNDP2 ESR1 4055/4885TSHR 1787/4885ACHE 4032/4885

“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.