SCHEMBL803448

SCHEMBL803448

CC(C)(C)Cc1ccccc1F

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.48
RIPK1 Q13546 4/20 0.47
IDO1 P14902 2/20 0.45
AOC3 Q16853 1/20 0.44
LMNA P02545 1/20 0.41
L3MBTL1 Q9Y468 3/20 0.40
GAA P10253 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
ALDH1A1 P00352 2/20 0.39
NR3C1 P04150 1/20 0.39
NR3C2 P08235 1/20 0.39
ACHE P22303 1/20 0.39
MAPT P10636 1/20 0.38
PKM P14618 1/20 0.38

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
Ammonia Solution, Strong SCHEMBL27962085 0.98 TAAR1 (0.46) TAAR1RIPK1IDO1AOC3LMNA
SCHEMBL26065899 0.84 GABRA1 (0.42) TAAR1RIPK1IDO1AOC3L3MBTL1
SCHEMBL11669851 0.82 TAAR1 (0.45) TAAR1RIPK1IDO1AOC3LMNA
SCHEMBL4402454 0.82 RIPK1 (0.45) TAAR1RIPK1IDO1AOC3
SCHEMBL23458536 0.82 TAAR1 (0.50) TAAR1RIPK1IDO1AOC3LMNA
SCHEMBL6685097 0.82 RIPK1 (0.56) TAAR1RIPK1IDO1LMNAACHE
SCHEMBL12870199 0.80 RIPK1 (0.39) TAAR1RIPK1IDO1AOC3GAA
SCHEMBL20988671 0.80 RIPK1 (0.47) TAAR1RIPK1IDO1AOC3LMNA
SCHEMBL19388206 0.79 RIPK1 (0.42) TAAR1RIPK1IDO1AOC3LMNA
SCHEMBL15107549 0.79 GABRA1 (0.45) TAAR1RIPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12043674-B2 Synthetic cyclic peptides and methods of preparation and use thereof AUBURN UNIVERSITY (US) 2024-07-23 US disclosed
US-11919858-B2 Aminonapthoquinone compounds and pharmaceutical composition for blocking ubiquitination-proteasome system in diseases CALGENT BIOTECHNOLOGY CO., LTD. (TW) 2024-03-05 US disclosed
US-11833122-B2 Aminonaphthoquinone compounds for treatment and/or prevention of fibrosis diseases CALGENT BIOTECHNOLOGY CO., LTD. (TW) 2023-12-05 US disclosed
US-20230374017-A1 COMPOSITIONS AND METHODS FOR ACTIVATING PYRUVATE KINASE THE REGENTS OF THE UNIVERSITY OF MICHIGAN 2023-11-23 US disclosed
US-20230374017-A1 COMPOSITIONS AND METHODS FOR ACTIVATING PYRUVATE KINASE THE REGENTS OF THE UNIVERSITY OF MICHIGAN 2023-11-23 US disclosed
US-20230348450-A1 CARBOXYLIC ACID-CONTAINING COMPOUNDS AS MODULATORS OF BIS-PHOSPHOGLYCERATE MUTASE FOR THE TREATMENT OF SICKLE CELL DISEASE GENZYME CORPORATION 2023-11-02 US disclosed
US-20230348475-A1 IMIDAZOPYRIDAZINE AND IMIDAZOPYRAZINE COMPOUNDS AS INHIBITORS OF CDK7 TRANSLATIONAL GENOMICS RES INST (US) 2023-11-02 US disclosed
US-20230348475-A1 IMIDAZOPYRIDAZINE AND IMIDAZOPYRAZINE COMPOUNDS AS INHIBITORS OF CDK7 TRANSLATIONAL GENOMICS RES INST (US) 2023-11-02 US disclosed
US-20230348450-A1 CARBOXYLIC ACID-CONTAINING COMPOUNDS AS MODULATORS OF BIS-PHOSPHOGLYCERATE MUTASE FOR THE TREATMENT OF SICKLE CELL DISEASE GENZYME CORPORATION 2023-11-02 US disclosed
US-20230303539-A1 IMMUNOREGULATORY COMPOUND AND ANTITUMOR APPLICATION THEREOF SHANGHAITECH UNIVERSITY (CN) 2023-09-28 US disclosed
US-7262186-B2 Substituted pyrazolo[3,4-d] pyrimidinones as a mitotic kinesin inhibitor MERCK & CO., INC. (US) 2007-08-28 US disclosed
US-20070185155-A1 Muscarinic acetylcholine receptor antagonists GLAXO GROUP LIMITED (GB) 2007-08-09 US disclosed
US-20070185155-A1 Muscarinic acetylcholine receptor antagonists GLAXO GROUP LIMITED (GB) 2007-08-09 US disclosed
US-20070167506-A1 SUBSTITUTED IMIDAZOLES PFIZER INC. (US) 2007-07-19 US disclosed
US-7244723-B2 Substituted furopyrimidinones as a mitotic kinesin inhibitors MERCK & CO., INC. (US) 2007-07-17 US disclosed
US-7244723-B2 Substituted furopyrimidinones as a mitotic kinesin inhibitors MERCK & CO., INC. (US) 2007-07-17 US disclosed
US-20070117797-A1 Alkylamino, arylamino, and sulfonamido cyclopentyl amide modulators of chemokine receptor activity MERCK SHARP & DOHME CORP. 2007-05-24 US disclosed
US-7192949-B2 Substituted bicyclic pyrimidinones as a mitotic kinesin KSP inhibitors MERCK & CO., INC. (US) 2007-03-20 US disclosed
US-20070021331-A1 Methods of using macrocyclic modulators of the ghrelin receptor TRANZYME PHARMA INC. 2007-01-25 US disclosed
US-20070021428-A1 Immunomodulating heterocyclic compounds AVIDEX LIMITED (GB) 2007-01-25 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 (12 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-20070117797-A1 Alkylamino, arylamino, and sulfonamido cyclopentyl amide modulators of chemokine receptor activity CCR7, ACKR3, CCR2 TAAR1 195/4885RIPK1 1219/4885IDO1 277/4885
US-20230303539-A1 IMMUNOREGULATORY COMPOUND AND ANTITUMOR APPLICATION THEREOF TNF, NFATC1, IL2 TAAR1 2649/4885RIPK1 1092/4885IDO1 84/4885
US-20230348450-A1 CARBOXYLIC ACID-CONTAINING COMPOUNDS AS MODULATORS OF BIS-PHOSPHOGLYCERATE MUTASE FOR THE TREATMENT OF SICKLE CELL DISEASE BPGM, PGAM1, PGM2 TAAR1 4572/4885RIPK1 4755/4885IDO1 4587/4885
US-20230348475-A1 IMIDAZOPYRIDAZINE AND IMIDAZOPYRAZINE COMPOUNDS AS INHIBITORS OF CDK7 CDK7, CDK8, CDKL4 TAAR1 3692/4885RIPK1 1419/4885IDO1 2630/4885
US-20070167506-A1 SUBSTITUTED IMIDAZOLES ABL1, TYR, CYP3A4 TAAR1 2147/4885RIPK1 4519/4885IDO1 28/4885
US-12043674-B2 Synthetic cyclic peptides and methods of preparation and use thereof VIP, PTMS, IAPP TAAR1 4424/4885RIPK1 386/4885IDO1 2643/4885
US-20070021331-A1 Methods of using macrocyclic modulators of the ghrelin receptor GHSR, GHRHR, GIPR TAAR1 643/4885RIPK1 2459/4885IDO1 3963/4885
US-11833122-B2 Aminonaphthoquinone compounds for treatment and/or prevention of fibrosis diseases KEAP1, GOT2, COL1A1 TAAR1 1920/4885RIPK1 4511/4885IDO1 1299/4885
US-11919858-B2 Aminonapthoquinone compounds and pharmaceutical composition for blocking ubiquitination-proteasome system in diseases UBQLN1, PSMB1, UBQLN2 TAAR1 4193/4885RIPK1 3677/4885IDO1 2065/4885
US-20070021428-A1 Immunomodulating heterocyclic compounds CD40, CD40LG, NGFR TAAR1 456/4885RIPK1 1314/4885IDO1 208/4885
US-20230374017-A1 COMPOSITIONS AND METHODS FOR ACTIVATING PYRUVATE KINASE PCK1, PDK2, PDK1 TAAR1 4801/4885RIPK1 454/4885IDO1 4566/4885
US-20070185155-A1 Muscarinic acetylcholine receptor antagonists CHRM3, CHRNG, CHRM2 TAAR1 146/4885RIPK1 3408/4885IDO1 2785/4885

“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.