SCHEMBL20079252

SCHEMBL20079252

CC(C)NCCn1cccn1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.40
ADRB1 P08588 1/20 0.40
ADRB3 P13945 1/20 0.40
FDPS P14324 1/20 0.37
TLR8 Q9NR97 1/20 0.35
TLR7 Q9NYK1 1/20 0.35
TSHR P16473 1/20 0.35
DAO P14920 1/20 0.35
THRB P10828 2/20 0.35
LMNA P02545 3/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
NLRP3 Q96P20 1/20 0.33
ALDH1A1 P00352 2/20 0.33
GAA P10253 2/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
NAMPT P43490 1/20 0.33

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
SCHEMBL29488767 0.79 CYP3A4 (0.54) ADRB2ADRB1ADRB3TSHRLMNA
SCHEMBL3418400 0.78 ALDH1A1 (0.39) ADRB2ADRB1ADRB3FDPSTLR8
SCHEMBL1455889 0.78
SCHEMBL3477001 0.78 KDM4E (0.38) FDPSTLR8TLR7TSHRDAO
SCHEMBL29274316 0.76 THRB (0.41) ADRB2ADRB1ADRB3FDPSTSHR
SCHEMBL14406687 0.74
SCHEMBL278529 0.74 L3MBTL1 (0.48) FDPSTSHRDAOTHRBLMNA
SCHEMBL5713341 0.73 DAO (0.50) FDPSTSHRDAOTHRBLMNA
SCHEMBL23609405 0.73 TLR8 (0.35) FDPSTLR8TLR7TSHRDAO
SCHEMBL22762248 0.73 MITF (0.41) FDPSTLR8TLR7TSHRDAO

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230174485-A1 LIPOXYGENASE INHIBITORS SRI INTERNATIONAL (US) 2023-06-08 US disclosed
US-20230149369-A1 Compounds that Interact with the Ras Superfamily for the Treatment of Cancers, Inflammatory Diseases, Rasopathies, and Fibrotic Disease SHY Therapeutics LLC (US) 2023-05-18 US disclosed
US-20230064360-A1 HETEROCYCLES AND USES THEREOF KUMQUAT BIOSCIENCES INC. 2023-03-02 US disclosed
WO-2023028338-A2 MANNOSE 6-PHOSPHATE OR ASGPR RECEPTOR BINDING COMPOUNDS FOR THE DEGRADATION OF EXTRACELLULAR PROTEINS AVILAR THERAPEUTICS, INC. (US) 2023-03-02 WO disclosed
US-20230053746-A1 IL-17 LIGANDS AND USES THEREOF DICE MOLECULES SV, INC. 2023-02-23 US disclosed
US-11213515-B1 Compounds that interact with the Ras superfamily for the treatment of cancers, inflammatory diseases, rasopathies, and fibrotic disease SHY Therapeutics LLC (US) 2022-01-04 US disclosed
US-11026930-B1 Compounds that interact with the Ras superfamily for the treatment of cancers, inflammatory diseases, rasopathies, and fibrotic disease SHY Therapeutics LLC (US) 2021-06-08 US disclosed
US-10940139-B2 Compounds that interact with the Ras superfamily for the treatment of cancers, inflammatory diseases, rasopathies, and fibrotic disease SHY Therapeutics LLC (US) 2021-03-09 US disclosed
US-10851073-B2 Protein tyrosine phosphatase inhibitors and methods of use thereof ABBVIE INC. (US) 2020-12-01 US disclosed
US-20200299246-A1 PROTEIN TYROSINE PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF CALICO LIFE SCIENCES LLC (US) 2020-09-24 US disclosed
WO-2020163554-A1 IL-17A MODULATORS AND USES THEREOF DICE ALPHA, INC. (US) 2020-08-13 WO disclosed
US-20200247785-A1 IL-17 Ligands And Uses Thereof DICE MOLECULES SV, INC. 2020-08-06 US disclosed
US-10723727-B2 Tubulysin analogs and methods for their preparation PFIZER INC. (US) 2020-07-28 US disclosed
US-20200121660-A1 COMPOUNDS THAT INTERACT WITH THE RAS SUPERFAMILY FOR THE TREATMENT OF CANCERS, INFLAMMATORY DISEASES, RASOPATHIES, AND FIBROTIC DISEASE SHY THERAPEUTICS, INC. 2020-04-23 US disclosed
EP-3294732-B1 BENZIMIDAZOLE AND IMADAZOPYRIDINE CARBOXIMIDAMIDE COMPOUNDS HAVING ACTIVITY AS INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE GILEAD SCIENCES INC (US) 2019-09-25 EP disclosed
US-9951065-B2 Benzimidazole and imadazopyridine carboximidamide compounds GILEAD SCIENCES, INC. (US) 2018-04-24 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-20230053746-A1 IL-17 LIGANDS AND USES THEREOF IL17A, IL2, IL15 ADRB2 2548/4885ADRB1 1892/4885ADRB3 2458/4885
US-20230064360-A1 HETEROCYCLES AND USES THEREOF KRAS, HRAS, TP53 ADRB2 4729/4885ADRB1 4803/4885ADRB3 4609/4885
US-20200121660-A1 COMPOUNDS THAT INTERACT WITH THE RAS SUPERFAMILY FOR THE TREATMENT OF CANCERS, INFLAMMATORY DISEASES, RASOPATHIES, AND FIBROTIC DISEASE HRAS, KRAS, NRAS ADRB2 3974/4885ADRB1 3238/4885ADRB3 3651/4885
US-10851073-B2 Protein tyrosine phosphatase inhibitors and methods of use thereof PTPN1, PTPN2, PTPN18 ADRB2 4706/4885ADRB1 4559/4885ADRB3 4730/4885
US-20200247785-A1 IL-17 Ligands And Uses Thereof IL17A, IL2, IL15 ADRB2 2548/4885ADRB1 1892/4885ADRB3 2458/4885
US-10940139-B2 Compounds that interact with the Ras superfamily for the treatment of cancers, inflammatory diseases, rasopathies, and fibrotic disease HRAS, KRAS, NRAS ADRB2 3974/4885ADRB1 3238/4885ADRB3 3651/4885
US-20230174485-A1 LIPOXYGENASE INHIBITORS ALOX15B, ALOX12, ALOX15 ADRB2 2267/4885ADRB1 2326/4885ADRB3 3223/4885
US-11026930-B1 Compounds that interact with the Ras superfamily for the treatment of cancers, inflammatory diseases, rasopathies, and fibrotic disease HRAS, KRAS, NRAS ADRB2 3974/4885ADRB1 3238/4885ADRB3 3651/4885
US-11213515-B1 Compounds that interact with the Ras superfamily for the treatment of cancers, inflammatory diseases, rasopathies, and fibrotic disease HRAS, KRAS, NRAS ADRB2 3974/4885ADRB1 3238/4885ADRB3 3651/4885
US-20230149369-A1 Compounds that Interact with the Ras Superfamily for the Treatment of Cancers, Inflammatory Diseases, Rasopathies, and Fibrotic Disease HRAS, KRAS, NRAS ADRB2 3974/4885ADRB1 3238/4885ADRB3 3651/4885
US-10723727-B2 Tubulysin analogs and methods for their preparation NGLY1, TEK, TEKT1 ADRB2 4099/4885ADRB1 3776/4885ADRB3 2727/4885
US-20200299246-A1 PROTEIN TYROSINE PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF PTPN1, PTPN2, PTPN18 ADRB2 4706/4885ADRB1 4559/4885ADRB3 4730/4885

“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.