SCHEMBL4815731

SCHEMBL4815731

COc1ccc(Br)cc1CN(CCN(C)C)Cc1cccc(Br)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CALM1 P0DP23 1/20 0.52
CAMKK2 Q96RR4 1/20 0.52
ALDH1A1 P00352 4/20 0.49
KDM4E B2RXH2 2/20 0.49
TSHR P16473 1/20 0.49
TAAR1 Q96RJ0 1/20 0.49
KMT2A Q03164 3/20 0.48
MEN1 O00255 2/20 0.48
BCHE P06276 1/20 0.47
ACHE P22303 1/20 0.47
L3MBTL1 Q9Y468 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
GAA P10253 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
LMNA P02545 2/20 0.42
HPGD P15428 1/20 0.42
HTR2A P28223 1/20 0.42
HTR2C P28335 1/20 0.42
HTR2B P41595 1/20 0.42
POLB P06746 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
SCHEMBL14027584 0.91 CALM1 (0.54) CALM1CAMKK2ALDH1A1KDM4ETSHR
SCHEMBL14027660 0.91 KDM4E (0.59) CALM1CAMKK2ALDH1A1KDM4ETSHR
SCHEMBL14027610 0.83 CALM1 (0.75) CALM1CAMKK2ALDH1A1KDM4ETSHR
SCHEMBL14027648 0.82 TAAR1 (0.58) CALM1CAMKK2ALDH1A1KDM4ETSHR
SCHEMBL4824563 0.81 CYP1A2 (0.44) CALM1CAMKK2ALDH1A1KDM4ETSHR
SCHEMBL14181862 0.81 CALM1 (0.62) CALM1CAMKK2ALDH1A1KDM4ETSHR
SCHEMBL13061011 0.78 TAAR1 (0.57) CALM1CAMKK2ALDH1A1KDM4ETAAR1
SCHEMBL13061100 0.77 CALM1 (0.55) CALM1CAMKK2ALDH1A1KDM4ETSHR
SCHEMBL14027605 0.77 CALM1 (0.74) CALM1CAMKK2ALDH1A1KDM4ETSHR
SCHEMBL4820215 0.77 TAAR1 (0.55) CALM1CAMKK2ALDH1A1KDM4ETSHR

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 CALM1 3048/4885CAMKK2 2321/4885ALDH1A1 3912/4885

“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.