SCHEMBL954451

SCHEMBL954451

CC(C#N)c1ccc(Cc2ccccc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CALM1 P0DP23 1/20 0.46
LTA4H P09960 3/20 0.42
LMNA P02545 1/20 0.40
NPY5R Q15761 1/20 0.39
MAOB P27338 1/20 0.39
ACACB O00763 1/20 0.38
ACACA Q13085 1/20 0.38
TAAR1 Q96RJ0 4/20 0.38
SIGMAR1 Q99720 2/20 0.38
SLC18A2 Q05940 1/20 0.38
KDM4E B2RXH2 1/20 0.38
CYP3A4 P08684 1/20 0.38
MAPT P10636 1/20 0.38
KEAP1 Q14145 1/20 0.38
NFE2L2 Q16236 1/20 0.38
IDH1 O75874 1/20 0.37
MAOA P21397 1/20 0.36
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
SLC6A3 Q01959 1/20 0.36

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
SCHEMBL7039581 0.81 TSHR (0.52) LMNATAAR1KDM4EMAPTTRPA1
SCHEMBL28208618 0.81 TSHR (0.52) LMNATAAR1KDM4EMAPTTRPA1
SCHEMBL156029 0.81 TSHR (0.52) LMNATAAR1KDM4EMAPTTRPA1
SCHEMBL198507 0.81 TSHR (0.52) LMNATAAR1KDM4EMAPTTRPA1
SCHEMBL11144941 0.80 SLC6A4 (0.36) MAOBKEAP1SLC6A2SLC6A4SLC6A3
SCHEMBL909548 0.79 TRPA1 (0.50) LMNATAAR1KDM4EMAPTTRPA1
SCHEMBL6565095 0.78 ESR1 (0.43) CYP3A4TRPA1TSHR
SCHEMBL954845 0.78 PTGS2 (0.48) TRPA1TSHR
SCHEMBL955062 0.78 CYP2A6 (0.50) LMNATAAR1KDM4ECYP3A4MAPT
SCHEMBL5877636 0.78 CYP2C19 (0.54) LMNATAAR1KDM4ECYP3A4MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108218715-A A kind of method for synthesizing α-phenyl-β-p-methylphenyl ethylamine 江苏优嘉植物保护有限公司 2018-06-29 CN claimed
CN-108218715-A A kind of method for synthesizing α-phenyl-β-p-methylphenyl ethylamine 江苏优嘉植物保护有限公司 2018-06-29 CN 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
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 CALM1 2379/4885LTA4H 3222/4885LMNA 2048/4885

“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.