SCHEMBL4685387

SCHEMBL4685387

CC(C)Cc1ccccc1Br

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.52
GABRB2 P47870 1/20 0.52
TAAR1 Q96RJ0 3/20 0.47
IDO1 P14902 2/20 0.45
TSHR P16473 2/20 0.42
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 1/20 0.41
ANPEP P15144 1/20 0.41
PYCR1 P32322 1/20 0.40
PPARG P37231 1/20 0.39
PPARA Q07869 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
NFKB1 P19838 1/20 0.39
CYP2C19 P33261 1/20 0.39
HSD17B10 Q99714 1/20 0.39
ALDH1A1 P00352 1/20 0.39

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
SCHEMBL1930665 0.84 TAAR1 (0.45) TAAR1IDO1TSHRSLC6A2SLC6A4
SCHEMBL7666087 0.84 TAAR1 (0.45) GABRA1GABRB2TAAR1IDO1TSHR
SCHEMBL6686376 0.82 GABRA1 (0.54) GABRA1GABRB2TAAR1IDO1ANPEP
SCHEMBL625240 0.82 TAAR1 (0.44) GABRA1GABRB2TAAR1IDO1TSHR
SCHEMBL29679614 0.82 TAAR1 (0.44) GABRA1GABRB2TAAR1IDO1TSHR
SCHEMBL14997308 0.82 TAAR1 (0.44) GABRA1GABRB2TAAR1IDO1TSHR
SCHEMBL6682510 0.82 TAAR1 (0.44) TAAR1IDO1TSHRSLC6A2SLC6A4
SCHEMBL15160736 0.82 TAAR1 (0.44) TAAR1IDO1TSHRSLC6A2SLC6A4
SCHEMBL5847127 0.82 TAAR1 (0.50) TAAR1IDO1SLC6A2SLC6A4
SCHEMBL5132667 0.82 TAAR1 (0.44) TAAR1IDO1TSHRSLC6A2SLC6A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117466746-A Method for synthesizing arylamine compound by photochemical cobalt catalysis 陕西师范大学 2024-01-30 CN disclosed
US-20230339947-A1 USE OF CASEINOLYTIC PROTEASE P FUNCTION AS A BIOMARKER OF DRUG RESPONSE TO IMIPRIDONE-LIKE AGENTS Madera Therapeutics, LLC 2023-10-26 US disclosed
US-20230339947-A1 USE OF CASEINOLYTIC PROTEASE P FUNCTION AS A BIOMARKER OF DRUG RESPONSE TO IMIPRIDONE-LIKE AGENTS Madera Therapeutics, LLC 2023-10-26 US disclosed
US-20230303562-A1 PYRAZOLE COMPOUND AND PREPARATION METHOD THEREFOR AND USE THEREOF SICHUAN KELUN-BIOTECH BIOPHARMACEUTICAL CO., LTD. (CN) 2023-09-28 US disclosed
US-20230303562-A1 PYRAZOLE COMPOUND AND PREPARATION METHOD THEREFOR AND USE THEREOF SICHUAN KELUN-BIOTECH BIOPHARMACEUTICAL CO., LTD. (CN) 2023-09-28 US disclosed
US-11744832-B2 Heteroaryl substituted pyrrolo[2,3-b]pyridines and pyrrolo[2,3-b]pyrimidines as Janus kinase inhibitors INCYTE CORPORATION (US) 2023-09-05 US disclosed
US-20220388966-A1 NOVEL COMPOUND HAVING ANTIBACTERIAL FUNCTION AGAINST SUPERBACTERIA AND SELECTIVE DETECTION FUNCTION OF HYPOCHLOROUS ACID, AND COMPOSITION AND SENSOR COMPRISING THE SAME PUKYONG NATIONAL UNIVERSITY INDUSTRY-UNIVERSITY COOPERATION FOUNDATION (KR) 2022-12-08 US disclosed
WO-2022150167-A2 NOVEL MACROCYCLIC OPIOID PEPTIDES UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) 2022-07-14 WO disclosed
CN-109021022-B Luminescent diazabenzimidazole carbene metal complexes UDC 爱尔兰有限责任公司 2021-04-16 CN disclosed
US-20210017139-A1 INHIBITORS FOR THE B-CATENIN / T-CELL FACTOR PROTEIN-PROTEIN INTERACTION H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. 2021-01-21 US disclosed
US-5459142-A Autoimmune disease, atherosclerosis, antiischemic agents and nephritis OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1995-10-17 US disclosed
EP-0659182-A1 PIPERAZINE DERIVATIVES AND SALTS THEREOF OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1995-06-28 EP disclosed
EP-0650476-A1 PERIPHERAL VASODILATING AGENT CONTAINING N-ACYLATED 4-AMINO PIPERIDINE DERIVATIVES AS ACTIVE INGREDIENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1995-05-03 EP disclosed
EP-0511879-B1 Pyrazine derivatives OTSUKA PHARMA CO LTD (JP) 1995-03-22 EP disclosed
WO-1995002593-A1 PIPERAZINE DERIVATIVES AND SALTS THEREOF OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1995-01-26 WO disclosed
EP-0620003-A1 VASOPRESSIN ANTAGONIST AND OXYTOCIN ANTAGONIST OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1994-10-19 EP disclosed
WO-1994022826-A1 PERIPHERAL VASODILATING AGENT CONTAINING N-ACYLATED 4-AMINO PIPERIDINE DERIVATIVES AS ACTIVE INGREDIENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1994-10-13 WO disclosed
EP-0421436-A2 Substituted carboxytetrahydroisoquinolines and derivatives thereof having pharmaceutical activity WARNER-LAMBERT COMPANY (US) 1991-04-10 EP disclosed
US-4518799-A GRIGNARD REAGENTS AND THEIR PREPARATION THE UPJOHN COMPANY (US) 1985-05-21 US disclosed
US-4443631-A DIMETHYLFORMAMIDE OR DIMETHYLACETAMIDE SOLVENT 2-(2-FLUORO-4-BIPHENYLYL)PROPIONIC ACID INTERMEDIATE THE UPJOHN COMPANY (US) 1984-04-17 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 (5 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-20230303562-A1 PYRAZOLE COMPOUND AND PREPARATION METHOD THEREFOR AND USE THEREOF CYP51A1, CYP4F11, WEE1 GABRA1 1882/4885GABRB2 2786/4885TAAR1 4796/4885
US-20210017139-A1 INHIBITORS FOR THE B-CATENIN / T-CELL FACTOR PROTEIN-PROTEIN INTERACTION CTNNBL1, CTNNB1, APC GABRA1 4128/4885GABRB2 2946/4885TAAR1 4882/4885
US-20220388966-A1 NOVEL COMPOUND HAVING ANTIBACTERIAL FUNCTION AGAINST SUPERBACTERIA AND SELECTIVE DETECTION FUNCTION OF HYPOCHLOROUS ACID, AND COMPOSITION AND SENSOR COMPRISING THE SAME HDHD5, MPO, HAO2 GABRA1 2663/4885GABRB2 2320/4885TAAR1 1915/4885
US-11744832-B2 Heteroaryl substituted pyrrolo[2,3-b]pyridines and pyrrolo[2,3-b]pyrimidines as Janus kinase inhibitors JAK3, JAK1, JAK2 GABRA1 1995/4885GABRB2 1606/4885TAAR1 3993/4885
US-20230339947-A1 USE OF CASEINOLYTIC PROTEASE P FUNCTION AS A BIOMARKER OF DRUG RESPONSE TO IMIPRIDONE-LIKE AGENTS CLPP, PRCP, PREP GABRA1 4324/4885GABRB2 4213/4885TAAR1 4498/4885

“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.