SCHEMBL4742849

SCHEMBL4742849

Cc1ccccc1N(C)c1ccccn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 3/20 0.46
CYP2C19 P33261 2/20 0.46
L3MBTL1 Q9Y468 1/20 0.41
RXRA P19793 1/20 0.39
RXRB P28702 1/20 0.39
CHRM2 P08172 3/20 0.39
ADRA2A P08913 3/20 0.39
DRD1 P21728 3/20 0.39
SLC6A2 P23975 3/20 0.39
SLC6A4 P31645 3/20 0.39
SLC6A3 Q01959 3/20 0.39
KCNH2 Q12809 3/20 0.39
ADRA1A P35348 2/20 0.39
ADRA2B P18089 2/20 0.39
HTR2A P28223 2/20 0.39
HRH1 P35367 2/20 0.39
ADRA2C P18825 1/20 0.39
OPRK1 P41145 1/20 0.39
FGFR1 P11362 1/20 0.38
KDR P35968 1/20 0.38

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
SCHEMBL231127 0.81 CYP2D6 (0.57) CYP2D6CYP2C19L3MBTL1CHRM2ADRA2A
SCHEMBL4033315 0.80 CYP2D6 (0.39) CYP2D6CYP2C19L3MBTL1CHRM2ADRA2A
SCHEMBL10886684 0.79 CYP2D6 (0.44) CYP2D6CYP2C19L3MBTL1CHRM2ADRA2A
SCHEMBL5178057 0.79 CYP2D6 (0.44) CYP2D6CYP2C19L3MBTL1CHRM2ADRA2A
Methane SCHEMBL28533749 0.79 CYP2D6 (0.55) CYP2D6CYP2C19L3MBTL1CHRM2ADRA2A
Hydrochloric Acid SCHEMBL6775520 0.79 CYP2D6 (0.55) CYP2D6CYP2C19L3MBTL1CHRM2ADRA2A
SCHEMBL13367399 0.77 SIGMAR1 (0.47) CYP2D6CYP2C19L3MBTL1CHRM2ADRA2A
SCHEMBL18712613 0.77 CYP2D6 (0.46) CYP2D6CYP2C19L3MBTL1CHRM2ADRA2A
SCHEMBL2620728 0.76 ACHE (0.50) SLC6A2SLC6A4LMNAALDH1A1CYP1A2
SCHEMBL6752665 0.74 CYP2D6 (0.40) CYP2D6CYP2C19L3MBTL1CHRM2ADRA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230292586-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION (US) 2023-09-14 US disclosed
EP-3430013-A1 CARBAPENEM COMPOUNDS Orchid Pharma Limited (IN) 2019-01-23 EP disclosed
WO-2017158616-A1 CARBAPENEM COMPOUNDS ORCHID PHARMA LTD. (IN) 2017-09-21 WO disclosed
EP-1999119-A2 NOVEL ACETYL-COA CARBOXYLASE (ACC) INHIBITORS AND THEIR USE IN DIABETES, OBESITY AND METABOLIC SYNDROME Abbott Laboratories (US) 2008-12-10 EP disclosed
US-7378412-B2 Pharmaceutical compounds NICOX S.A. (FR) 2008-05-27 US disclosed
EP-1861100-A1 3 , llB-CIS-DIHYDROTETRABENAZINE FOR THE TREATMENT OF A PROLIFERATIVE DISEASE OR AN INFLAMMATION Cambridge Laboratories (Ireland) Limited (IE) 2007-12-05 EP disclosed
WO-2007095602-A2 NOVEL ACETYL-COA CARBOXYLASE (ACC) INHIBITORS AND THEIR USE IN DIABETES, OBESITY AND METABOLIC SYNDROME ABBOTT LABORATORIES (US) 2007-08-23 WO disclosed
WO-2007017643-A1 3 , llB-CIS-DIHYDROTETRABENAZINE FOR THE TREATMENT OF A PROLIFERATIVE DISEASE OR AN INFLAMMATION CAMBRIDGE LABORATORIES (IRELAND) LIMITED (IE) 2007-02-15 WO disclosed
US-20050261242-A1 Pharmaceutical compounds NICOX, S.A. 2005-11-24 US disclosed
US-6344561-B2 TREATMENT OF SKIN DISORDERS, INFLAMMATION, NERVE SYSTEM DISORDERS, CANCER ALLERGAN SALES, INC. 2002-02-05 US disclosed
WO-1991017172-A1 NOVEL MYCALAMIDES WITH ANTITUMOR AND ANTIVIRAL ACTIVITY HARBOR BRANCH OCEANOGRAPHIC INSTITUTION, INC. (US) 1991-11-14 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-20050261242-A1 Pharmaceutical compounds CYP2B6, CYP2C19, MAOB CYP2D6 11/4885CYP2C19 2/4885L3MBTL1 4852/4885

“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.