SCHEMBL4701631

SCHEMBL4701631

CC(C)(C)OC(=O)N1CCC(c2ccccc2N(CCN2C(=O)c3ccccc3C2=O)S(C)(=O)=O)CC1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 2/20 0.43
KDM4E B2RXH2 2/20 0.41
MAPT P10636 1/20 0.41
THRB P10828 1/20 0.41
STS P08842 1/20 0.41
MC4R P32245 1/20 0.40
GPR119 Q8TDV5 7/20 0.39
UTS2R Q9UKP6 1/20 0.39
MAPK1 P28482 1/20 0.39
KCNH2 Q12809 1/20 0.39
SCN5A Q14524 1/20 0.39
SCN9A Q15858 1/20 0.39
IDO1 P14902 3/20 0.39
PKM P14618 1/20 0.39

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
SCHEMBL4700176 0.87 MAPK1 (0.45) KDM4EMAPTMAPK1
SCHEMBL4697699 0.82 MC4R (0.55) KDM4EMAPTTHRBSTSMC4R
SCHEMBL4700838 0.81 MC4R (0.47) MC4RMAPK1
SCHEMBL4700334 0.81 MC4R (0.47) MC4RMAPK1
SCHEMBL4702527 0.79 MAOB (0.38)
SCHEMBL8332423 0.79 GPR119 (0.49) KDM4EMAPTTHRBSTSGPR119
Hydrochloric Acid SCHEMBL4698894 0.78 HTR2C (0.39)
SCHEMBL4697730 0.77 MC4R (0.44) MC4R
Hydrochloric Acid SCHEMBL4676307 0.76 MC4R (0.43) MC4R
SCHEMBL8825578 0.75 ACHE (0.64) BRD4KDM4EGPR119PKM

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1416933-B1 SUBSTITUTED PIPERIDINES AS MODULATORS OF THE MELANOCORTIN RECEPTOR AMGEM INC (US) 2008-01-02 EP disclosed
US-6977264-B2 Substituted piperidines and methods of use AMGEN INC. (US) 2005-12-20 US disclosed
US-20040006067-A1 Substituted piperidines and methods of use AMGEN INC. 2004-01-08 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-20040006067-A1 Substituted piperidines and methods of use MC4R, MC5R, MC1R BRD4 1370/4885KDM4E 1817/4885MAPT 3346/4885

“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.