SCHEMBL4816296

SCHEMBL4816296

CN(C)CCN(Cc1ccccc1)Cc1cccc2ccccc12

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 3/20 0.56
CYP1A2 P05177 2/20 0.56
CYP2C19 P33261 2/20 0.56
CALM1 P0DP23 1/20 0.52
CAMKK2 Q96RR4 1/20 0.52
LMNA P02545 4/20 0.49
TSHR P16473 3/20 0.49
NR1I2 O75469 2/20 0.49
SLC6A2 P23975 2/20 0.49
HTR2A P28223 2/20 0.49
SLC6A4 P31645 2/20 0.49
KCNH2 Q12809 2/20 0.49
SIGMAR1 Q99720 2/20 0.49
DRD2 P14416 1/20 0.49
ADRA2C P18825 1/20 0.49
CNR1 P21554 1/20 0.49
ADRA1A P35348 1/20 0.49
OPRK1 P41145 1/20 0.49
SLC6A3 Q01959 1/20 0.49
EBP Q15125 1/20 0.49

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
SCHEMBL4818483 0.92 CYP2D6 (0.65) CYP2D6CYP1A2CYP2C19LMNATSHR
SCHEMBL4815853 0.89 CYP2D6 (0.50) CYP2D6CYP1A2CYP2C19CALM1CAMKK2
SCHEMBL13061031 0.88 CYP2D6 (0.49) CYP2D6CYP1A2CYP2C19CALM1CAMKK2
SCHEMBL4823146 0.86 CYP2D6 (0.50) CYP2D6CYP1A2CYP2C19CALM1CAMKK2
SCHEMBL6678223 0.85 CYP2D6 (0.58) CYP2D6CYP1A2CYP2C19LMNATSHR
SCHEMBL14181855 0.84 CALM1 (0.70) CYP2D6CYP1A2CYP2C19CALM1CAMKK2
SCHEMBL13005601 0.84 CYP2D6 (0.46) CYP2D6CYP1A2CYP2C19CALM1CAMKK2
SCHEMBL4821840 0.83 CYP2D6 (0.57) CYP2D6CYP1A2CYP2C19LMNATSHR
SCHEMBL4823876 0.82 CYP2D6 (0.53) CYP2D6CYP1A2CYP2C19LMNATSHR
SCHEMBL524817 0.82 CALM1 (0.65) CALM1CAMKK2LMNATSHRSLC6A2

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
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

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.