SCHEMBL625781

SCHEMBL625781

CC(F)(F)c1cccc(Br)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.53
CA2 P00918 1/20 0.53
CA5A P35218 1/20 0.53
CA9 Q16790 1/20 0.53
ALDH1A1 P00352 2/20 0.44
MAPK1 P28482 2/20 0.44
KIF11 P52732 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
RXRA P19793 1/20 0.38
GRIN1 Q05586 1/20 0.38
GRIN2B Q13224 1/20 0.38
TAS1R3 Q7RTX0 1/20 0.37
TAS1R1 Q7RTX1 1/20 0.37
ACHE P22303 1/20 0.36
BACE1 P56817 1/20 0.36
CTSL P07711 1/20 0.36
TSHR P16473 1/20 0.35
TAAR1 Q96RJ0 2/20 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
SCHEMBL29427094 1.00 CA1 (0.53) CA1CA2CA5ACA9ALDH1A1
SCHEMBL14650857 0.86 CA1 (0.53) CA1CA2CA5ACA9ALDH1A1
SCHEMBL25875484 0.83 CA1 (0.50) CA1CA2CA5ACA9ALDH1A1
SCHEMBL15122792 0.83 CA1 (0.50) CA1CA2CA5ACA9ALDH1A1
SCHEMBL26262592 0.83 CA1 (0.50) CA1CA2CA5ACA9ALDH1A1
SCHEMBL29824423 0.81 CA1 (0.57) CA1CA2CA5ACA9ALDH1A1
SCHEMBL264984 0.81 MEN1 (0.49) CA1CA2CA5ACA9ALDH1A1
SCHEMBL28287079 0.81 ALDH1A1 (0.48) CA1CA2CA5ACA9ALDH1A1
SCHEMBL29945227 0.81 MEN1 (0.49) CA1CA2CA5ACA9ALDH1A1
SCHEMBL4661 0.81 CA1 (0.57) CA1CA2CA5ACA9ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025264844-A1 HETEROCYCLIC GPR52 MODULATORS AND METHODS OF USE THEREOF LIEBER INSTITUTE, INC. (US) 2025-12-26 WO disclosed
US-12421191-B2 3-hydroxyoxindole derivatives as CRHR2 antagonist RAQUALIA PHARMA INC. (JP) 2025-09-23 US disclosed
US-20250136598-A1 SUBSTITUTED PYRAZOLO-PYRIDINE AMIDES AND THEIR USE AS GLUN2B RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2025-05-01 US disclosed
US-12172997-B2 Substituted pyrazolo-pyridine amides and their use as GluN2B receptor modulators JANSSEN PHARMACEUTICA NV (BE) 2024-12-24 US disclosed
US-20240368136-A1 BENZOLACTAM COMPOUNDS AS PROTEIN KINASE INHIBITORS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2024-11-07 US disclosed
US-20240360156-A1 HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2024-10-31 US disclosed
EP-4217062-B1 CYCLOBUTYL AMIDE MONOACYLGLYCEROL LIPASE MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2024-10-09 EP disclosed
EP-3365334-B1 BENZOLACTAM COMPOUNDS AS PROTEIN KINASE INHIBITORS OTSUKA PHARMA CO LTD (JP) 2024-07-17 EP disclosed
EP-4397654-A1 EP4 ANTAGONIST COMPOUND AS WELL AS SALT, POLYMORPH, AND USE THEREOF Wuhan Humanwell Innovative Drug Research and Development Center Limited Company (CN) 2024-07-10 EP disclosed
US-20240208902-A1 CYCLOBUTYL AMIDE MONOACYLGLYCEROL LIPASE MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2024-06-27 US disclosed
US-6683097-B2 AFFINITY TO NMDA (N-METHYL-D-ASPARTATE)-RECEPTOR SUBTYPE SELECTIVE BLOCKERS; MEDIATING PROCESSES UNDERLYING DEVELOPMENT OF CENTRAL NERVOUS SYSTEM AS WELL AS LEARNING AND MEMORY FORMATION HOFFMANN-LA ROCHE INC. 2004-01-27 US disclosed
US-6667335-B2 NMDA (N-methyl-D-aspartate)-receptor subtype selective blockers HOFFMANN-LA ROCHE INC. 2003-12-23 US disclosed
US-20030229096-A1 Substituted imidazol-pyridazine derivatives EVOTEC INTERNATIONAL GMBH (DE) 2003-12-11 US disclosed
WO-2003097637-A1 (IMIDAZOL-1-YL-METHYL)-PYRIDAZINE AS NMDA RECEPTOR BLOCKER F. HOFFMANN-LA ROCHE AG (CH) 2003-11-27 WO disclosed
EP-1358165-A1 IMIDAZOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2003-11-05 EP disclosed
US-20030191311-A1 A 5-(imidazol-1-yl-methyl)-pyridine derivatives for treating an NMDA-receptor-mediated disease, neurodegeneration disorder caused by stroke or brain trauma, Alzheimer's disease, Parkinson's disease, Huntington's disease EVOTEC INTERNATIONAL GMBH (DE) 2003-10-09 US disclosed
US-20030187268-A1 Imidazole derivatives EVOTEC INTERNATIONAL GMBH (DE) 2003-10-02 US disclosed
US-6610723-B2 Such as 3-(3,4-dimethyl-phenyl)-5-(2-methyl-imidazol-1-yl-methyl)-pyridine having affinity to N-methyl-D-aspartate-receptor subtype selective blockers; central nervous system; learning, memory, neurodegeneration HOFFMANN-LA ROCHE INC. 2003-08-26 US disclosed
US-20020151715-A1 Imidazole derivatives EVOTEC INTERNATIONAL GMBH (DE) 2002-10-17 US disclosed
WO-2002060877-A1 IMIDAZOLE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2002-08-08 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 (10 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-12172997-B2 Substituted pyrazolo-pyridine amides and their use as GluN2B receptor modulators GRIN2B, GRIN2A, GRIN3A CA1 3394/4885CA2 4299/4885CA5A 4069/4885
US-20240360156-A1 HETEROCYCLIC COMPOUND AND USE THEREOF GRIN1, GRIN2C, GRIN2A CA1 1734/4885CA2 3165/4885CA5A 3259/4885
US-20030191311-A1 A 5-(imidazol-1-yl-methyl)-pyridine derivatives for treating an NMDA-receptor-mediated disease, neurodegeneration disorder caused by stroke or brain trauma, Alzheimer's disease, Parkinson's disease, Huntington's disease GRIN1, GRIN2B, GRIN3B CA1 1845/4885CA2 4031/4885CA5A 3754/4885
US-20020151715-A1 Imidazole derivatives GRIN2B, GRIN1, GRIN2A CA1 1401/4885CA2 2581/4885CA5A 4238/4885
US-12421191-B2 3-hydroxyoxindole derivatives as CRHR2 antagonist CRHR2, CRHR1, CRH CA1 2346/4885CA2 1310/4885CA5A 1143/4885
US-20250136598-A1 SUBSTITUTED PYRAZOLO-PYRIDINE AMIDES AND THEIR USE AS GLUN2B RECEPTOR MODULATORS GRIN2B, GRIN2A, GRIN3A CA1 3394/4885CA2 4299/4885CA5A 4069/4885
US-20240208902-A1 CYCLOBUTYL AMIDE MONOACYLGLYCEROL LIPASE MODULATORS MGLL, LPL, PNLIP CA1 2357/4885CA2 2654/4885CA5A 2442/4885
US-20240368136-A1 BENZOLACTAM COMPOUNDS AS PROTEIN KINASE INHIBITORS MAPK1, ALK, MAP3K1 CA1 3779/4885CA2 1838/4885CA5A 3133/4885
US-20030229096-A1 Substituted imidazol-pyridazine derivatives GRIN2B, GRIN2A, GRIN2C CA1 2980/4885CA2 1927/4885CA5A 2118/4885
US-20030187268-A1 Imidazole derivatives GRIN2B, GRIN1, GRIN2A CA1 1401/4885CA2 2581/4885CA5A 4238/4885

“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.