SCHEMBL4823046

SCHEMBL4823046

CN(C)CCN(Cc1ccccc1)Cc1ccc(Cl)c(Cl)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CALM1 P0DP23 1/20 0.57
CAMKK2 Q96RR4 1/20 0.57
SIGMAR1 Q99720 6/20 0.54
ALDH1A1 P00352 3/20 0.54
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
TP53 P04637 1/20 0.54
CYP1A2 P05177 1/20 0.54
MAPT P10636 1/20 0.54
CYP2C19 P33261 1/20 0.54
SLC6A2 P23975 2/20 0.51
SLC6A4 P31645 2/20 0.51
SLC6A3 Q01959 2/20 0.51
BCHE P06276 1/20 0.48
ACHE P22303 1/20 0.48
ATM Q13315 2/20 0.47
HTT P42858 1/20 0.47
PYCR1 P32322 1/20 0.45
TSHR P16473 2/20 0.44
PPARG P37231 1/20 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
SCHEMBL524817 0.83 CALM1 (0.65) CALM1CAMKK2SIGMAR1ALDH1A1MEN1
SCHEMBL4823754 0.83 CALM1 (0.62) CALM1CAMKK2SIGMAR1ALDH1A1MEN1
SCHEMBL9619489 0.83 HTT (0.63) SIGMAR1ALDH1A1MEN1KMT2AMAPT
SCHEMBL10039139 0.79 CALM1 (0.62) CALM1CAMKK2SIGMAR1ALDH1A1MEN1
SCHEMBL4818525 0.79 TAAR1 (0.54) CALM1CAMKK2ALDH1A1MEN1KMT2A
SCHEMBL18157879 0.79 CALM1 (0.65) CALM1CAMKK2SIGMAR1ALDH1A1MEN1
SCHEMBL10039144 0.78 CALM1 (0.56) CALM1CAMKK2ALDH1A1MEN1KMT2A
SCHEMBL10039143 0.78 CALM1 (0.64) CALM1CAMKK2ALDH1A1MEN1KMT2A
SCHEMBL13061102 0.78 CALM1 (0.64) CALM1CAMKK2ALDH1A1MEN1KMT2A
SCHEMBL10039141 0.77 CALM1 (0.55) CALM1CAMKK2ALDH1A1MEN1KMT2A

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 2321/4885SIGMAR1 359/4885

“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.