SCHEMBL4823876

SCHEMBL4823876

CN(C)CCN(Cc1cccc2ccccc12)Cc1c2ccccc2cc2ccccc12

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 4/20 0.53
CYP1A2 P05177 2/20 0.53
CYP2C19 P33261 2/20 0.53
KMT2A Q03164 3/20 0.45
MEN1 O00255 2/20 0.45
TNNI3 P19429 1/20 0.45
TNNT2 P45379 1/20 0.45
TNNC1 P63316 1/20 0.45
LMNA P02545 7/20 0.45
ALDH1A1 P00352 4/20 0.45
MAPT P10636 3/20 0.45
MAPK1 P28482 2/20 0.45
RAD52 P43351 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
SLC6A2 P23975 3/20 0.44
SIGMAR1 Q99720 3/20 0.44
HTT P42858 2/20 0.44
NR1I2 O75469 2/20 0.44
HTR2A P28223 2/20 0.44

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 0.89 CYP2D6 (0.65) CYP2D6CYP1A2CYP2C19KMT2AMEN1
SCHEMBL4822605 0.83 CETP (0.47) CYP2D6CYP1A2CYP2C19KMT2AMEN1
SCHEMBL4816296 0.82 CYP2D6 (0.56) CYP2D6CYP1A2CYP2C19KMT2AMEN1
SCHEMBL4821840 0.81 CYP2D6 (0.57) CYP2D6CYP1A2CYP2C19KMT2AMEN1
SCHEMBL4823146 0.81 CYP2D6 (0.50) CYP2D6CYP1A2CYP2C19LMNAMAPK1
SCHEMBL13061031 0.80 CYP2D6 (0.49) CYP2D6CYP1A2CYP2C19KMT2AMEN1
SCHEMBL4815853 0.78 CYP2D6 (0.50) CYP2D6CYP1A2CYP2C19KMT2AMEN1
SCHEMBL13381683 0.77 CYP2D6 (0.76) CYP2D6CYP1A2CYP2C19KMT2AMEN1
SCHEMBL13005601 0.77 CYP2D6 (0.46) CYP2D6CYP1A2CYP2C19KMT2AMEN1
SCHEMBL14181855 0.77 CALM1 (0.70) CYP2D6CYP1A2CYP2C19KMT2AMEN1

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.