SCHEMBL955871

SCHEMBL955871

CCCCc1cccc(CCCC)c1C=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
BID P55957 6/20 0.41
MCL1 Q07820 6/20 0.41
BCL2L1 Q07817 5/20 0.41
BAK1 Q16611 5/20 0.41
KAT8 Q9H7Z6 2/20 0.41
SAE1 Q9UBE0 2/20 0.41
PPARA Q07869 2/20 0.41
PPARG P37231 1/20 0.41
EP300 Q09472 1/20 0.41
KAT2A Q92830 1/20 0.41
KAT2B Q92831 1/20 0.41
KAT5 Q92993 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
LIPG Q9Y5X9 1/20 0.40
ALOX5 P09917 1/20 0.40

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
SCHEMBL952521 0.96 GAA (0.41) GAATDP1L3MBTL1BIDMCL1
SCHEMBL29196605 0.94 BID (0.47) BIDMCL1BCL2L1BAK1KAT8
SCHEMBL28632291 0.89 GAA (0.39) GAATDP1L3MBTL1BIDMCL1
SCHEMBL1527069 0.87 BID (0.50) BIDMCL1BCL2L1BAK1KAT8
SCHEMBL10351355 0.87 GABRA1 (0.39) GAATDP1L3MBTL1BIDMCL1
SCHEMBL7094415 0.84 BID (0.48) BIDMCL1BCL2L1BAK1KAT8
SCHEMBL9513460 0.84 ALOX5 (0.43) BIDMCL1BCL2L1BAK1KAT8
SCHEMBL28224444 0.83 BID (0.47) BIDMCL1BCL2L1BAK1KAT8
SCHEMBL1527143 0.82 BID (0.56) BIDMCL1BCL2L1BAK1KAT8
SCHEMBL30600442 0.82 LIPG (0.49) BIDMCL1BCL2L1BAK1KAT8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20070197621-A1 Method for the treatment of CNS disorders with substituted 2-imidazoles or imidazole derivatives GPR119, PER2, MTNR1B GAA 437/4885TDP1 1542/4885L3MBTL1 3459/4885

“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.