SCHEMBL717640

SCHEMBL717640

CC(C)c1ccc(CCN)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 9/20 0.56
CYP2A6 P11509 2/20 0.56
CYP1A2 P05177 1/20 0.56
IDO1 P14902 2/20 0.54
HTR2A P28223 4/20 0.50
KDM4E B2RXH2 1/20 0.50
ALDH1A1 P00352 1/20 0.50
HTR1A P08908 1/20 0.50
ADRA2A P08913 1/20 0.50
SLC6A2 P23975 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
MAOB P27338 2/20 0.48
BLM P54132 1/20 0.48
KMT2A Q03164 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
LOXL2 Q9Y4K0 1/20 0.48

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
Hydrochloric Acid SCHEMBL1923123 0.98 IDO1 (0.55) TAAR1CYP2A6CYP1A2IDO1HTR2A
SCHEMBL16280268 0.86 IDO1 (0.50) TAAR1CYP2A6CYP1A2IDO1HTR2A
SCHEMBL13557873 0.86 TAAR1 (0.56) TAAR1CYP2A6CYP1A2HTR2AKDM4E
SCHEMBL10729588 0.85 IDO1 (0.56) IDO1ALDH1A1L3MBTL1MAOBKMT2A
SCHEMBL24648946 0.85 MAOA (0.54) TAAR1CYP2A6CYP1A2IDO1HTR2A
Hydrochloric Acid SCHEMBL4938620 0.85 IDO1 (0.52) TAAR1CYP2A6CYP1A2IDO1HTR2A
SCHEMBL28947478 0.82 TAAR1 (0.52) TAAR1CYP2A6CYP1A2HTR2AKDM4E
SCHEMBL16313190 0.82 TAAR1 (0.52) TAAR1CYP2A6CYP1A2HTR2AKDM4E
SCHEMBL1718526 0.81 CA12 (0.50) TAAR1CYP2A6CYP1A2IDO1KDM4E
SCHEMBL12533387 0.81 IDO1 (0.48) IDO1ALDH1A1L3MBTL1MAOBKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114163776-A Epoxy resin with pressure-bearing and leakage-stopping functions and preparation method thereof 西南石油大学 2022-03-11 CN claimed
EP-0298480-A1 Process for the optical resolution of (+)-cis or (+)-trans-permethric acid Kuraray Co., Ltd. (JP) 1989-01-11 EP claimed
WO-2024145483-A1 COMPOUNDS FOR USE IN THE TREATMENT OF CANCER AND METHODS OF MAKING AND USING THE SAME HTG MOLECULAR DIAGNOSTICS, INC. (US) 2024-07-04 WO disclosed
WO-2023196975-A1 COMPOUNDS THAT INTERACT WITH RAS SUPERFAMILY PROTEINS FOR TREATMENT OF CANCERS, INFLAMMATORY DISEASES, RASOPATHIES, AND FIBROTIC DISEASE SHY THERAPEUTICS, LLC (US) 2023-10-12 WO disclosed
WO-2023153504-A1 NUCLEIC ACID DELIVERY MATERIAL 国立大学法人東海国立大学機構 2023-08-17 WO disclosed
CN-111848494-B Guanidine compounds and uses thereof 伊谬诺米特医疗有限公司 2023-08-01 CN disclosed
EP-3131877-B1 BIGUANIDE COMPOUNDS IMMUNOMET THERAPEUTICS INC (US) 2023-07-19 EP disclosed
US-11690390-B2 Taste modifying product FIRMENICH SA (CH) 2023-07-04 US disclosed
EP-2912954-B1 Taste modifying product and use thereof FIRMENICH & CIE (CH) 2023-03-22 EP disclosed
US-20220411372-A1 SMALL-MOLECULE INHIBITORS FOR THE B-CATENIN/B-CELL LYMPHOMA 9 PROTEIN-PROTEIN INTERACTION H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. 2022-12-29 US disclosed
US-20220362396-A1 AMINO-PYRAZINECARBOXAMIDE COMPOUNDS, CONJUGATES, AND USES THEREOF SILVERBACK THERAPEUTICS, INC. 2022-11-17 US disclosed
EP-1174421-A1 3-AMIDINOBENZENESULFONAMIDE DERIVATIVES, MEDICINAL COMPOSITIONS CONTAINING THE SAME AND INTERMEDIATES IN THE PRODUCTION THEREOF Kissei Pharmaceutical Co., Ltd. (JP) 2002-01-23 EP disclosed
EP-0326329-B1 Quinazoline derivatives useful as insecticides. DOW AGROSCIENCES LLC (US) 1998-10-28 EP disclosed
US-5411963-A Plant fungicides, miticides, insecticides DOWELANCO (US) 1995-05-02 US disclosed
US-5350749-A Fungicides, insecticides and miticides DOWELANCO (US) 1994-09-27 US disclosed
US-5034393-A Fungicides for plants DOWELANCO (US) 1991-07-23 US disclosed
EP-0414386-A1 Condensed pyrimidine derivates DowElanco (US) 1991-02-27 EP disclosed
EP-0326329-A2 Quinazoline derivatives DowElanco (US) 1989-08-02 EP disclosed
US-4350644-A Isopropylbenzene derivatives MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1982-09-21 US disclosed
US-4328280-A USING ISOPROPYLBENZENE COMPOUND MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1982-05-04 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 (3 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-20220411372-A1 SMALL-MOLECULE INHIBITORS FOR THE B-CATENIN/B-CELL LYMPHOMA 9 PROTEIN-PROTEIN INTERACTION BCL9, BCL9L, BCL6 TAAR1 4879/4885CYP2A6 3531/4885CYP1A2 4372/4885
US-11690390-B2 Taste modifying product TAS2R5, TAS2R1, TAS2R45 TAAR1 1869/4885CYP2A6 1685/4885CYP1A2 1223/4885
US-20220362396-A1 AMINO-PYRAZINECARBOXAMIDE COMPOUNDS, CONJUGATES, AND USES THEREOF TGFBR2, SMAD2, ACVR2A TAAR1 903/4885CYP2A6 4230/4885CYP1A2 1624/4885

“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.