SCHEMBL953215

SCHEMBL953215

CCC(C#N)c1cccc(Br)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.38
TDO2 P48775 1/20 0.38
ALDH1A1 P00352 3/20 0.36
MAPK1 P28482 1/20 0.36
CTSS P25774 1/20 0.35
CTSK P43235 1/20 0.35
MAPT P10636 1/20 0.35
HTT P42858 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
TRPA1 O75762 1/20 0.34
CYP3A4 P08684 3/20 0.34
CYP2D6 P10635 3/20 0.34
SLC6A2 P23975 3/20 0.34
SLC6A4 P31645 3/20 0.34
SLC6A3 Q01959 3/20 0.34
KCNH2 Q12809 1/20 0.34
MBTD1 Q05BQ5 1/20 0.33
L3MBTL3 Q96JM7 1/20 0.33
MAOA P21397 1/20 0.33
CTSA P10619 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
SCHEMBL27830123 0.86 CTSS (0.37) IDO1TDO2ALDH1A1MAPK1CTSS
SCHEMBL28785625 0.82 IDO1 (0.38) IDO1TDO2TRPA1CYP3A4CYP2D6
SCHEMBL4138269 0.80 ALDH1A1 (0.44) ALDH1A1MAPK1CTSSCTSKMAPT
SCHEMBL31665927 0.79 IDO1 (0.36) IDO1TDO2ALDH1A1MAPK1TRPA1
SCHEMBL7711209 0.79 CYP1A2 (0.34) ALDH1A1TRPA1CYP3A4
SCHEMBL29061975 0.79 HPGD (0.44) ALDH1A1MAPK1MAPTNPSR1CYP3A4
SCHEMBL954467 0.79 AOC3 (0.40) IDO1TDO2MAPTSLC6A2SLC6A4
SCHEMBL29061977 0.79 AOC3 (0.40) IDO1TDO2MAPTSLC6A2SLC6A4
SCHEMBL954629 0.79 HPGD (0.44) ALDH1A1MAPK1MAPTNPSR1CYP3A4
SCHEMBL3355778 0.79 CTSS (0.31) CTSSCTSKTRPA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3706747-B1 PRMT5 INHIBITORS MERCK SHARP & DOHME LLC (US) 2025-09-03 EP disclosed
US-20200354377-A1 PRMT5 INHIBITORS MERCK SHARP & DOHME CORP. (US) 2020-11-12 US disclosed
EP-3706747-A1 PRMT5 INHIBITORS Merck Sharp & Dohme Corp. (US) 2020-09-16 EP disclosed
US-7875645-B2 2-(2-cyclopropyl-benzyl)-4,5-dihydro-1H-imidazole; depression, anxiety disorders, bipolar disorder, attention deficit hyperactivity disorder, stress-related disorders, psychotic disorders such as schizophrenia, neurological diseases such as Parkinson's disease, neurodegenerative disorders HOFFMAN-LA ROCHE INC. (US) 2011-01-25 US disclosed
CN-101374516-A Use of substituted 2-imidazole of imidazoline derivatives HOFFMANN LA ROCHE (CH) 2009-02-25 CN disclosed
EP-1981497-A2 USE OF SUBSTITUTED 2-IMIDAZOLE OF IMIDAZOLINE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2008-10-22 EP disclosed
US-20070197621-A1 Method for the treatment of CNS disorders with substituted 2-imidazoles or imidazole derivatives F. HOFFMANN-LA ROCHE AG, A SWISS COMPANY (CH) 2007-08-23 US disclosed
WO-2007085557-A2 USE OF SUBSTITUTED 2-IMIDAZOLE OF IMIDAZOLINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2007-08-02 WO disclosed
EP-1276722-B1 NAPHTHAMIDINE UROKINASE INHIBITORS ABBOTT LAB (US) 2006-03-08 EP disclosed
EP-1276722-A1 NAPHTHAMIDINE UROKINASE INHIBITORS Abbott Laboratories (US) 2003-01-22 EP disclosed
US-6504031-B1 Enzyme inhibitor such as 6-(2-(1-isopropyl-1,2,3,4-tetrahydro -7-isoquinolinyl)ethenyl)-2-naphthalenecarboximidamide, used as angiogenesis inhibitors; antiarthritic, antiinflammatory and antitumor agents ABBOTT LABORATORIES 2003-01-07 US disclosed
US-6495562-B1 SUCH AS 6-(2-(4,4-DIETHYL-1-ISOPROPYL-3,4-DIHYDRO-6-ISOQUINOLINYL)CYCLOPROPYL)-2 -NAPHTHALENECARBOXIMIDAMIDE ABBOTT LABORATORIES 2002-12-17 US disclosed
WO-2001081314-A1 NAPHTHAMIDINE UROKINASE INHIBITORS ABBOTT LABORATORIES (US) 2001-11-01 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 (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-20200354377-A1 PRMT5 INHIBITORS PRMT5, PRMT1, PRMT6 IDO1 1459/4885TDO2 3863/4885ALDH1A1 2803/4885
US-20070197621-A1 Method for the treatment of CNS disorders with substituted 2-imidazoles or imidazole derivatives GPR119, PER2, MTNR1B IDO1 54/4885TDO2 1025/4885ALDH1A1 412/4885

“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.