SCHEMBL4823756

SCHEMBL4823756

COc1ccccc1CN(CCN(C)C)Cc1ccccc1

nearest known ligand 0.65

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.65
ALDH1A1 P00352 1/20 0.65
TSHR P16473 1/20 0.65
CALM1 P0DP23 1/20 0.59
CAMKK2 Q96RR4 1/20 0.59
BCHE P06276 6/20 0.56
ACHE P22303 3/20 0.56
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
CHRM2 P08172 2/20 0.51
DRD2 P14416 1/20 0.47
DRD1 P21728 1/20 0.47
DRD4 P21917 1/20 0.47
DRD5 P21918 1/20 0.47
AOC3 Q16853 1/20 0.46
HRH1 P35367 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.45

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
SCHEMBL14027595 0.90 KDM4E (0.55) KDM4EALDH1A1TSHRCALM1CAMKK2
SCHEMBL14027605 0.86 CALM1 (0.74) KDM4EALDH1A1TSHRCALM1CAMKK2
SCHEMBL13061100 0.86 CALM1 (0.55) KDM4EALDH1A1TSHRCALM1CAMKK2
SCHEMBL14027584 0.85 CALM1 (0.54) KDM4EALDH1A1TSHRCALM1CAMKK2
SCHEMBL4821016 0.85 CALM1 (0.54) KDM4EALDH1A1TSHRCALM1CAMKK2
SCHEMBL14027660 0.85 KDM4E (0.59) KDM4EALDH1A1TSHRCALM1CAMKK2
SCHEMBL14027599 0.84 KDM4E (0.55) KDM4EALDH1A1TSHRCALM1CAMKK2
SCHEMBL13005561 0.83 CALM1 (0.52) KDM4EALDH1A1TSHRCALM1CAMKK2
SCHEMBL524817 0.82 CALM1 (0.65) KDM4EALDH1A1TSHRCALM1CAMKK2
SCHEMBL13061014 0.80 CALM1 (0.58) KDM4EALDH1A1TSHRCALM1CAMKK2

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 KDM4E 1351/4885ALDH1A1 3912/4885TSHR 47/4885

“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.