SCHEMBL359453

SCHEMBL359453

NCCc1ccc(Oc2ccc(O)cc2)c(I)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 1.00
TAAR5 O14804 1/20 1.00
KDM4E B2RXH2 2/20 0.50
ALDH1A1 P00352 2/20 0.50
HTR1A P08908 2/20 0.50
ADRA2A P08913 2/20 0.50
SLC6A2 P23975 2/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
TSHR P16473 1/20 0.50
NFKB1 P19838 1/20 0.50
CYP2C19 P33261 1/20 0.50
HTR3A P46098 1/20 0.50
BACE1 P56817 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
KMT2A Q03164 2/20 0.49
APEX1 P27695 2/20 0.49
MEN1 O00255 1/20 0.49
LMNA P02545 1/20 0.49
TDP1 Q9NUW8 2/20 0.49

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
SCHEMBL29374539 1.00 TAAR1 (1.00) TAAR1TAAR5KDM4EALDH1A1HTR1A
SCHEMBL13886676 0.88 TAAR5 (0.79) TAAR1TAAR5KMT2AMEN1BLM
SCHEMBL13886597 0.85 TAAR1 (0.74) TAAR1TAAR5KDM4EALDH1A1HTR1A
SCHEMBL13886593 0.85 TAAR1 (0.74) TAAR1TAAR5CYP1A2CYP3A4TSHR
SCHEMBL25772997 0.85 TAAR1 (0.74) TAAR1TAAR5KDM4ECYP1A2CYP3A4
SCHEMBL13886618 0.84 TAAR5 (0.73) TAAR1TAAR5KDM4ECYP1A2CYP3A4
Hydrochloric Acid SCHEMBL5311045 0.84 TAAR1 (0.72) TAAR1TAAR5KMT2AAPEX1MEN1
Hydrochloric Acid SCHEMBL5317226 0.83 TAAR5 (0.71) TAAR1TAAR5CYP1A2CYP3A4TSHR
SCHEMBL13886678 0.82 TAAR1 (0.69) TAAR1TAAR5KDM4EALDH1A1HTR1A
SCHEMBL13886598 0.81 TAAR5 (0.68) TAAR1TAAR5MAPK1HIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11974970-B2 Muscular atrophy-inducing agent using hypometabolism-inducing substance T1AM, and use thereof in treating muscular hypertrophy UNIVERSITY INDUSTRY FOUNDATION, YONSEI UNIVERSITY WONJU CAMPUS (KR) 2024-05-07 US claimed
US-20240101963-A1 SC-BETA CELLS AND COMPOSITIONS AND METHODS FOR GENERATING THE SAME PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2024-03-28 US claimed
CN-117554536-B Simultaneous analysis method for 15 thyroid hormones in environmental water sample 北京林业大学 2024-03-19 CN claimed
CN-117554536-A Simultaneous analysis method for 15 thyroid hormones in environmental water sample 北京林业大学 2024-02-13 CN claimed
US-11441162-B2 Human gut microbiome-derived biosynthetic enzymes for production of fatty acid amides MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2022-09-13 US claimed
US-20220265775-A1 COMPOSITIONS AND METHODS FOR TREATING PULMONARY EDEMA OR LUNG INFLAMMATION UNIV MINNESOTA (US) 2022-08-25 US claimed
EP-3955954-A1 COMBINATION THERAPY FOR MODULATING BILE ACID HOMEOSTASIS AND TREATMENT OF BILE ACID DISORDERS AND DISEASES NGM Biopharmaceuticals, Inc. (US) 2022-02-23 EP claimed
US-20210401728-A1 Topical Compositions and Methods to Promote Optimal Dermal White Adipose Tissue Composition in Vivo GALANIN IVAN (US) 2021-12-30 US claimed
EP-3876747-A1 METHODS OF MODULATING GASTROINTESTINAL METABOLITES DSM IP Assets B.V. (NL) 2021-09-15 EP claimed
US-20210137854-A1 TAAR Receptor Agonists for the Treatment of Alopecia JUPITER WELLNESS INC. 2021-05-13 US claimed
US-20180140562-A1 MUSCULAR ATROPHY-INDUCING AGENT USING HYPOMETABOLISM-INDUCING SUBSTANCE T1AM, AND USE THEREOF IN TREATING MUSCULAR HYPERTROPHY UNIVERSITY INDUSTRY FOUNDATION, YONSEI UNIVERSITY WONJU CAMPUS (KR) 2018-05-24 US claimed
EP-3289864-A1 COMPOSITION FOR INDUCING HYPOMETABOLISM, METHOD FOR INDUCING HYPOMETABOLISM, AND FISH TRANSPORTATION METHOD USING TECHNIQUES THEREOF University Industry Foundation, Yonsei University Wonju Campus (KR) 2018-03-07 EP claimed
US-9328331-B2 Compositions and methods for promoting beta cell maturity JOSLIN DIABETES CENTER, INC. (US) 2016-05-03 US claimed
US-9012835-B2 Methods for simultaneous quantification of thyroid hormones and metabolites thereof by mass spectrometry GEORGETOWN UNIVERSITY (US) 2015-04-21 US claimed
US-20150099741-A1 DIAGNOSING AND TREATING PATIENTS HAVING PSYCHIATRIC DISORDERS NORTHWESTERN UNIVERSITY (US) 2015-04-09 US claimed
US-20140361156-A1 Methods for Simultaneous Quantification of Thyroid Hormones and Metabolites Thereof by Mass Spectrometry GEORGETOWN UNIVERSITY (US) 2014-12-11 US claimed
WO-2012087438-A1 METHODS FOR SIMULTANEOUS QUANTIFICATION OF THYROID HORMONES AND METABOLITES THEREOF BY MASS SPECTROMETRY GEORGETOWN UNIVERSITY (US) 2012-06-28 WO claimed
US-20120141436-A1 COMPOSITIONS AND METHODS FOR PROMOTING BETA CELL MATURITY JOSLIN DIABETES CENTER, INC. (US) 2012-06-07 US claimed
WO-2010135639-A2 COMPOSITIONS AND METHODS FOR PROMOTING BETA CELL MATURITY JOSLIN DIABETES CENTER, INC. (US) 2010-11-25 WO claimed
WO-2007059039-A1 THYROXINE DERIVATIVES FOR PRECONDITIONING AGAINST STROKE OREGON HEALTH & SCIENCE UNIVERSITY (US) 2007-05-24 WO claimed

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-20240101963-A1 SC-BETA CELLS AND COMPOSITIONS AND METHODS FOR GENERATING THE SAME IAPP, ALPG, PNLIP TAAR1 4310/4885TAAR5 4411/4885KDM4E 4115/4885

“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.