SCHEMBL73801

SCHEMBL73801

CC(C)(C)Cc1cccc(F)c1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.50
IDO1 P14902 2/20 0.48
AGXT P21549 2/20 0.48
RIPK1 Q13546 1/20 0.45
MAOB P27338 4/20 0.44
MIF P14174 1/20 0.44
ALDH1A1 P00352 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
ACHE P22303 1/20 0.43
SLC6A3 Q01959 1/20 0.42
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41

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 SCHEMBL27962023 0.98 TAAR1 (0.48) TAAR1IDO1AGXTRIPK1MAOB
SCHEMBL22905226 0.92 TAAR1 (0.44) TAAR1IDO1AGXTRIPK1MAOB
SCHEMBL18014713 0.88 TAAR1 (0.50) TAAR1IDO1AGXT
SCHEMBL10223971 0.84 MAOB (0.43) TAAR1IDO1AGXTMAOB
SCHEMBL23458533 0.83 TAAR1 (0.57) TAAR1IDO1AGXTRIPK1MAOB
SCHEMBL13821424 0.82 TAAR1 (0.50) TAAR1IDO1AGXTRIPK1MAOB
SCHEMBL11966955 0.82 RIPK1 (0.49) TAAR1IDO1AGXTRIPK1MAOB
SCHEMBL14526032 0.80 TAAR1 (0.49) TAAR1IDO1AGXTRIPK1MAOB
SCHEMBL27962022 0.80 TAAR1 (0.53) TAAR1IDO1AGXTRIPK1MAOB
SCHEMBL3647842 0.80 TAAR1 (0.52) TAAR1IDO1AGXTMAOBMIF

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 351 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-20240244961-A1 ORGANIC COMPOUND, ELECTRONIC ELEMENT AND ELECTRONIC APPARATUS SHAANXI LIGHTE OPTOELECTRONICS MATERIAL CO., LTD. (CN) 2024-07-18 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-20230381144-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF PAIN SYNVENTA LLC (US) 2023-11-30 US disclosed
US-20230381144-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF PAIN SYNVENTA LLC (US) 2023-11-30 US disclosed
US-11827615-B2 Nitrogen-containing compound, electronic element and electronic device SHAANXI LIGHTE OPTOELECTRONICS MATERIAL CO., LTD. (CN) 2023-11-28 US disclosed
US-20230287029-A1 ANTIVIRAL PRODRUGS, PHARMACEUTICAL FORMULATIONS, AND METHODS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2023-09-14 US disclosed
US-20230286997-A1 Compounds for the Treatment of Cancer and Inflammatory Disease SHY Therapeutics LLC 2023-09-14 US disclosed
US-20230286997-A1 Compounds for the Treatment of Cancer and Inflammatory Disease SHY Therapeutics LLC 2023-09-14 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-20070135443-A1 NOVEL TYROSINE KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2007-06-14 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-7189716-B2 Tyrosine kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2007-03-13 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
US-20070021428-A1 Immunomodulating heterocyclic compounds AVIDEX LIMITED (GB) 2007-01-25 US disclosed
WO-2004043367-A2 FUSED HETEROCYCLIC COMPOUNDS AND USE THEREOF BRISTOL-MYERS SQUIBB COMPANY (US) 2004-05-27 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 (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 195/4885IDO1 277/4885AGXT 2543/4885
US-20230381144-A1 COMPOSITIONS AND METHODS FOR TREATMENT OF PAIN TRPV1, OPRL1, ADRA2C TAAR1 500/4885IDO1 2011/4885AGXT 4550/4885
US-20230286997-A1 Compounds for the Treatment of Cancer and Inflammatory Disease MAPK6, MAP3K6, MAPK4 TAAR1 3699/4885IDO1 3700/4885AGXT 2540/4885
US-11827615-B2 Nitrogen-containing compound, electronic element and electronic device NOS1, PRMT1, MNS1 TAAR1 324/4885IDO1 1371/4885AGXT 2632/4885
US-12043674-B2 Synthetic cyclic peptides and methods of preparation and use thereof VIP, PTMS, IAPP TAAR1 4424/4885IDO1 2643/4885AGXT 3916/4885
US-20070021331-A1 Methods of using macrocyclic modulators of the ghrelin receptor GHSR, GHRHR, GIPR TAAR1 643/4885IDO1 3963/4885AGXT 2284/4885
US-20240244961-A1 ORGANIC COMPOUND, ELECTRONIC ELEMENT AND ELECTRONIC APPARATUS AOX1, AOC2, OSTC TAAR1 2344/4885IDO1 4374/4885AGXT 1499/4885
US-11833122-B2 Aminonaphthoquinone compounds for treatment and/or prevention of fibrosis diseases KEAP1, GOT2, COL1A1 TAAR1 1920/4885IDO1 1299/4885AGXT 9/4885
US-11919858-B2 Aminonapthoquinone compounds and pharmaceutical composition for blocking ubiquitination-proteasome system in diseases UBQLN1, PSMB1, UBQLN2 TAAR1 4193/4885IDO1 2065/4885AGXT 1215/4885
US-20230287029-A1 ANTIVIRAL PRODRUGS, PHARMACEUTICAL FORMULATIONS, AND METHODS MTAP, SARS1, RNGTT TAAR1 4327/4885IDO1 1640/4885AGXT 1598/4885
US-20070021428-A1 Immunomodulating heterocyclic compounds CD40, CD40LG, NGFR TAAR1 456/4885IDO1 208/4885AGXT 4496/4885
US-20070135443-A1 NOVEL TYROSINE KINASE INHIBITORS ABL1, ERBB2, ROS1 TAAR1 3421/4885IDO1 2560/4885AGXT 1019/4885

“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.