SCHEMBL62557

SCHEMBL62557

CCc1cccc(CC)c1Br

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 4/20 1.00
GABRB2 P47870 4/20 1.00
MGLL Q99685 1/20 0.38
CYP2D6 P10635 1/20 0.38
PDK2 Q15119 1/20 0.38
KCNH2 Q12809 2/20 0.36
SCN5A Q14524 2/20 0.36
MAPT P10636 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
HTR1A P08908 1/20 0.35
TAAR1 Q96RJ0 1/20 0.35
DAO P14920 1/20 0.35
CACNA1C Q13936 1/20 0.35
TP53 P04637 1/20 0.35
TSHR P16473 1/20 0.34

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
SCHEMBL1404162 0.90 GABRA1 (0.81) GABRA1GABRB2MGLLCYP2D6PDK2
SCHEMBL16953362 0.88 GABRA1 (0.77) GABRA1GABRB2DAO
SCHEMBL2403346 0.87 GABRA1 (0.76) GABRA1GABRB2MGLLCYP2D6PDK2
SCHEMBL3158096 0.85 GABRA1 (0.73) GABRA1GABRB2TAAR1TP53
SCHEMBL11414765 0.83 GABRA1 (0.70) GABRA1GABRB2MGLLCYP2D6PDK2
SCHEMBL6842382 0.83 GABRA1 (0.70) GABRA1GABRB2MAPTTSHR
SCHEMBL16952291 0.83 GABRA1 (0.70) GABRA1GABRB2MGLLCYP2D6PDK2
SCHEMBL16941868 0.83 GABRA1 (0.70) GABRA1GABRB2TAAR1
SCHEMBL2498507 0.83 GABRA1 (0.70) GABRA1GABRB2DAO
SCHEMBL8159492 0.83 GABRA1 (0.70) GABRA1GABRB2MGLLCYP2D6PDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1409699-A Process for preparation of secondary and tertiary amines CELGRO (US) 2003-04-09 CN claimed
EP-1237844-A1 PROCESS FOR THE PREPARATION OF SECONDARY AND TERTIARY AMINES Celgro (US) 2002-09-11 EP claimed
WO-2001044162-A1 PROCESS FOR THE PREPARATION OF SECONDARY AND TERTIARY AMINES CELGRO (US) 2001-06-21 WO claimed
US-6107521-A Process for the preparation of secondary amines CELGRO (US) 2000-08-22 US claimed
US-20250228811-A1 Triester Compounds And Methods Of Use Thereof LIFEMINE THERAPEUTICS, INC. 2025-07-17 US disclosed
WO-2025137071-A2 TRIESTER COMPOUNDS AND METHODS OF USE THEREOF LIFEMINE THERAPEUTICS, INC. (US) 2025-06-26 WO disclosed
WO-2025124544-A1 3,4-DIHYDRO-2H-BENZO[B][1,4]DIOXEPANE COMPOUND, AND PREPARATION METHOD THEREFOR AND PHARMACEUTICAL USE THEREOF 华润医药研究院(深圳)有限公司 2025-06-19 WO disclosed
CN-110198928-B Benzyloxy-pyridinyl-cyclopropanecarboxylic acid, pharmaceutical compositions and uses thereof 勃林格殷格翰国际有限公司 2023-08-29 CN disclosed
CN-111518004-B Aryl dithio formate compound with large steric hindrance group and application thereof 中山大学 2021-10-26 CN 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-10913720-B2 Benzyloxypyridylcyclopropanecarboxylic acids, pharmaceutical compositions and uses thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2021-02-09 US disclosed
CN-111518004-A Aryl dithio formate compound with large steric hindrance group and application thereof 中山大学 2020-08-11 CN disclosed
WO-2002059096-A1 PROCESSES AND SYNTHETIC INTERMEDIATES FOR PREPARING N-ARYLACRIDANCARBOXYLIC ACID DERIVATIVES LUMIGEN, INC. (US) 2002-08-01 WO disclosed
CN-1355786-A Substituted arylmalonic acid dinitriles as intermediates for preparation of herbicides SYNGENTA PARTICIPATIONS AG (CH) 2002-06-26 CN disclosed
EP-1173519-A1 NOVEL CARBOPYRONINE FLUORESCENCE DYES DREXHAGE, Karl-Heinz (DE) 2002-01-23 EP disclosed
WO-2000064986-A1 NOVEL CARBOPYRONINE FLUORESCENCE DYES DREXHAGE KARL HEINZ (DE) 2000-11-02 WO disclosed
US-6107521-A Process for the preparation of secondary amines CELGRO (US) 2000-08-22 US disclosed
EP-0276980-B1 CHROMOGENIC FLUORAN COMPOUNDS ESCO Company Limited Partnership (US) 1992-09-23 EP disclosed
US-4879398-A Process for producing 2,6-disubstituted tyrosine MONSANTO COMPANY (US) 1989-11-07 US disclosed
EP-0276980-A2 Chromogenic fluoran compounds ESCO Company Limited Partnership (US) 1988-08-03 EP 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 (2 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-10913720-B2 Benzyloxypyridylcyclopropanecarboxylic acids, pharmaceutical compositions and uses thereof GPR119, GPR65, GPR52 GABRA1 128/4885GABRB2 115/4885MGLL 1068/4885
US-20250228811-A1 Triester Compounds And Methods Of Use Thereof CYP46A1, CYP17A1, CYP27A1 GABRA1 2989/4885GABRB2 2034/4885MGLL 78/4885

“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.