SCHEMBL4824563

SCHEMBL4824563

COc1ccc(Br)cc1CN(CCN(C)C)Cc1cccc2ccccc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C19 P33261 1/20 0.44
MC4R P32245 1/20 0.44
CCR5 P51681 1/20 0.42
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 2/20 0.42
TSHR P16473 1/20 0.42
HTR2A P28223 1/20 0.41
KMT2A Q03164 3/20 0.41
MEN1 O00255 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CALM1 P0DP23 1/20 0.41
CAMKK2 Q96RR4 1/20 0.41
LMNA P02545 1/20 0.40
HPGD P15428 1/20 0.40
ATM Q13315 1/20 0.40
HTR1B P28222 1/20 0.40
BCHE P06276 1/20 0.40
ACHE P22303 1/20 0.40

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
SCHEMBL4364804 0.93 MC4R (0.44) CYP1A2CYP2D6CYP2C19MC4RCCR5
SCHEMBL4358357 0.86 SMPD1 (0.43) CYP1A2CYP2D6CYP2C19MC4RCCR5
SCHEMBL5796215 0.84 MC4R (0.54) CYP1A2CYP2D6CYP2C19MC4RKDM4E
SCHEMBL14027649 0.83 MC4R (0.44) MC4RKDM4EALDH1A1KMT2AMEN1
SCHEMBL4822605 0.83 CETP (0.47) CYP1A2CYP2D6CYP2C19ALDH1A1HTR2A
SCHEMBL14027660 0.83 KDM4E (0.59) CCR5KDM4EALDH1A1TSHRKMT2A
SCHEMBL4818483 0.82 CYP2D6 (0.65) CYP1A2CYP2D6CYP2C19ALDH1A1TSHR
SCHEMBL14027653 0.82 KDM4E (0.53) CCR5KDM4EALDH1A1BCHE
SCHEMBL4815731 0.81 CALM1 (0.52) CCR5KDM4EALDH1A1TSHRHTR2A
SCHEMBL4815853 0.81 CYP2D6 (0.50) CYP1A2CYP2D6CYP2C19KDM4EALDH1A1

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 5 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-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 CYP1A2 2257/4885CYP2D6 1108/4885CYP2C19 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.