SCHEMBL4815853

SCHEMBL4815853

CN(C)CCN(Cc1ccc(Br)cc1)Cc1cccc2ccccc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 4/20 0.50
CYP1A2 P05177 2/20 0.50
CYP2C19 P33261 2/20 0.50
LMNA P02545 5/20 0.48
SLC6A2 P23975 3/20 0.48
SIGMAR1 Q99720 3/20 0.48
NR1I2 O75469 2/20 0.48
HTR2A P28223 2/20 0.48
SLC6A4 P31645 2/20 0.48
KCNH2 Q12809 2/20 0.48
ADRA2A P08913 2/20 0.48
ACHE P22303 1/20 0.48
ALDH1A1 P00352 3/20 0.43
MAPK1 P28482 2/20 0.43
MAPT P10636 1/20 0.43
RAD52 P43351 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
KDM4E B2RXH2 1/20 0.42
CALM1 P0DP23 1/20 0.42

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
SCHEMBL4816296 0.89 CYP2D6 (0.56) CYP2D6CYP1A2CYP2C19LMNASLC6A2
SCHEMBL4818483 0.87 CYP2D6 (0.65) CYP2D6CYP1A2CYP2C19LMNASLC6A2
SCHEMBL4823146 0.84 CYP2D6 (0.50) CYP2D6CYP1A2CYP2C19LMNASLC6A2
SCHEMBL9722021 0.81 CYP2D6 (0.72) CYP2D6CYP1A2CYP2C19LMNASLC6A2
SCHEMBL4824563 0.81 CYP1A2 (0.44) CYP2D6CYP1A2CYP2C19LMNAHTR2A
SCHEMBL4821913 0.81 CALM1 (0.55) SLC6A2HTR2ASLC6A4KCNH2ADRA2A
SCHEMBL13061031 0.80 CYP2D6 (0.49) CYP2D6CYP1A2CYP2C19LMNASLC6A2
SCHEMBL4821840 0.79 CYP2D6 (0.57) CYP2D6CYP1A2CYP2C19LMNASLC6A2
SCHEMBL4823876 0.78 CYP2D6 (0.53) CYP2D6CYP1A2CYP2C19LMNASLC6A2
SCHEMBL13005601 0.77 CYP2D6 (0.46) CYP2D6CYP1A2CYP2C19LMNASLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080269217-A1 Melanocortin-4 receptor binding compounds and methods of use thereof ORE PHARMACEUTICALS, INC. (US) 2008-10-30 US disclosed
US-20080269217-A1 Melanocortin-4 receptor binding compounds and methods of use thereof ORE PHARMACEUTICALS, INC. (US) 2008-10-30 US disclosed
US-20080269217-A1 Melanocortin-4 receptor binding compounds and methods of use thereof ORE PHARMACEUTICALS, INC. (US) 2008-10-30 US disclosed
US-7375125-B2 Melanocortin-4 receptor binding compounds and methods of use thereof ORE PHARMACEUTICALS, INC. (US) 2008-05-20 US disclosed
US-7375125-B2 Melanocortin-4 receptor binding compounds and methods of use thereof ORE PHARMACEUTICALS, INC. (US) 2008-05-20 US disclosed
US-7375125-B2 Melanocortin-4 receptor binding compounds and methods of use thereof ORE PHARMACEUTICALS, INC. (US) 2008-05-20 US disclosed
US-6699873-B1 EATING DISORDERS MILLENNIUM PHARMACEUTICALS, INC. 2004-03-02 US 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-20080269217-A1 Melanocortin-4 receptor binding compounds and methods of use thereof MC4R, MC5R, MC3R CYP2D6 1108/4885CYP1A2 2257/4885CYP2C19 1233/4885

“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.