SCHEMBL4818525

SCHEMBL4818525

CN(C)CCN(Cc1ccccc1)Cc1ccccc1Cl

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 2/20 0.54
CALM1 P0DP23 1/20 0.51
CAMKK2 Q96RR4 1/20 0.51
ALDH1A1 P00352 2/20 0.48
TSHR P16473 2/20 0.48
KDM4E B2RXH2 2/20 0.48
PYCR1 P32322 1/20 0.45
AOC3 Q16853 1/20 0.44
BCHE P06276 2/20 0.43
ACHE P22303 2/20 0.43
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
RORC P51449 1/20 0.41
SLC6A2 P23975 2/20 0.41
SLC6A4 P31645 2/20 0.41
SLC6A3 Q01959 2/20 0.41
CHRM2 P08172 1/20 0.41
ADRA2A P08913 1/20 0.41
ADRA2B P18089 1/20 0.41
ADRA2C P18825 1/20 0.41

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
SCHEMBL14027615 0.89 CALM1 (0.51) TAAR1CALM1CAMKK2ALDH1A1TSHR
SCHEMBL13060693 0.86 CALM1 (0.48) TAAR1CALM1CAMKK2ALDH1A1TSHR
SCHEMBL524817 0.84 CALM1 (0.65) TAAR1CALM1CAMKK2ALDH1A1TSHR
SCHEMBL13005661 0.82 CALM1 (0.45) TAAR1CALM1CAMKK2ALDH1A1TSHR
SCHEMBL10039140 0.82 CALM1 (0.52) TAAR1CALM1CAMKK2ALDH1A1TSHR
SCHEMBL15702585 0.81 TSHR (0.58) TAAR1CALM1CAMKK2ALDH1A1TSHR
SCHEMBL18157879 0.80 CALM1 (0.65) TAAR1CALM1CAMKK2ALDH1A1TSHR
SCHEMBL4823046 0.79 CALM1 (0.57) CALM1CAMKK2ALDH1A1TSHRKDM4E
SCHEMBL4816296 0.78 CYP2D6 (0.56) CALM1CAMKK2ALDH1A1TSHRKDM4E
SCHEMBL4823756 0.78 KDM4E (0.65) CALM1CAMKK2ALDH1A1TSHRKDM4E

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 TAAR1 216/4885CALM1 3048/4885CAMKK2 2321/4885

“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.