SCHEMBL2275673

SCHEMBL2275673

CC(C)NC(=O)N(C1CCCCC1)C1CCNCC1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.55
EPHX1 P07099 3/20 0.43
SLC6A4 P31645 6/20 0.43
SLC6A2 P23975 5/20 0.43
HTR2A P28223 1/20 0.43
SLC6A3 Q01959 2/20 0.39
KCNH2 Q12809 1/20 0.39
SIGMAR1 Q99720 2/20 0.37
S1PR1 P21453 1/20 0.36
S1PR3 Q99500 1/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
POLB P06746 1/20 0.36
CYP2C19 P33261 1/20 0.36
KMT2A Q03164 1/20 0.36
CHRM5 P08912 1/20 0.36
CHRM3 P20309 1/20 0.36

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
SCHEMBL31456097 0.89 TSHR (0.65) TSHREPHX1HTR2ASIGMAR1S1PR1
SCHEMBL5452040 0.80 TSHR (0.41) TSHREPHX1SLC6A4SLC6A2SLC6A3
SCHEMBL2281424 0.75 SLC6A4 (0.42) TSHREPHX1SLC6A4SLC6A2SLC6A3
SCHEMBL27624686 0.73 SLC6A4 (0.42) TSHREPHX1SLC6A4SLC6A2SLC6A3
SCHEMBL16795227 0.72 SLC6A4 (0.44) TSHREPHX1SLC6A4SLC6A2SLC6A3
SCHEMBL5456713 0.72 SLC6A4 (0.39) TSHREPHX1SLC6A4SLC6A2SLC6A3
SCHEMBL2278722 0.72 SLC6A2 (0.54) SLC6A4SLC6A2SLC6A3KCNH2
SCHEMBL7560321 0.72 TSHR (0.45) TSHREPHX1HTR2AMEN1ALDH1A1
SCHEMBL6685949 0.72 TSHR (0.53) TSHREPHX1HTR2AS1PR1S1PR3
SCHEMBL2276014 0.71 SLC6A2 (0.38) TSHREPHX1SLC6A4SLC6A2SLC6A3

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-7989634-B2 Melanocortin receptor agonists LG LIFE SCIENCES LTD. (KR) 2011-08-02 US disclosed
EP-1685102-A4 MELANOCORTIN RECEPTOR AGONISTS LG LIFE SCIENCES LTD (KR) 2008-08-20 EP disclosed
US-20070129346-A1 Melanocortin receptor agonists LG LIFE SCIENCES LTD. (KR) 2007-06-07 US disclosed
EP-1685102-A1 MELANOCORTIN RECEPTOR AGONISTS LG Life Sciences Ltd. (KR) 2006-08-02 EP disclosed
WO-2005047251-A1 MELANOCORTIN RECEPTOR AGONISTS LG LIFE SCIENCES LTD. (KR) 2005-05-26 WO 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-20070129346-A1 Melanocortin receptor agonists MC1R, MC3R, MC5R TSHR 162/4885EPHX1 2506/4885SLC6A4 386/4885

“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.