SCHEMBL6711048

SCHEMBL6711048

COC(=O)COC(C)N1CCNCC1Cc1ccc(-c2ccc(Cl)cc2)cc1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CHIT1 Q13231 6/20 0.36
CHIA Q9BZP6 4/20 0.36
MAPKAPK2 P49137 1/20 0.36
SCN5A Q14524 1/20 0.36
SCN2A Q99250 1/20 0.36
SCN10A Q9Y5Y9 1/20 0.36
HTR2C P28335 1/20 0.34
HTR2B P41595 1/20 0.34
CHRM1 P11229 1/20 0.34
HTR2A P28223 1/20 0.34
MCHR1 Q99705 1/20 0.34

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
SCHEMBL3738384 0.90 SLC6A2 (0.38) CHIT1CHIAMAPKAPK2SCN5ASCN2A
SCHEMBL5695787 0.80 CHIT1 (0.41) CHIT1CHIAMAPKAPK2SCN5ASCN2A
SCHEMBL6711052 0.78 TDP1 (0.39) CHIT1CHIASCN5ASCN2ASCN10A
SCHEMBL3738375 0.78 PPARG (0.40) CHIT1CHIASCN5ASCN2ASCN10A
SCHEMBL8691086 0.78 MEN1 (0.40)
SCHEMBL8697920 0.77 CHIT1 (0.37) CHIT1CHIASCN5ASCN2ASCN10A
Hydrochloric Acid SCHEMBL8697805 0.77 PPARG (0.39) CHIT1CHIASCN5ASCN2ASCN10A
SCHEMBL8697912 0.74 CHIT1 (0.38) CHIT1CHIASCN5ASCN2ASCN10A
SCHEMBL8698596 0.73 CHIT1 (0.37) CHIT1CHIASCN5ASCN2ASCN10A
SCHEMBL9812322 0.71 TDP1 (0.41) CHIT1CHIA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040122023-A1 Enantiomers of 1-[(4-chlorophenyl)phenylmethyl]-4-[(4-methylphenyl) sulfonyl] piperazine COSSEMENT ERIC (BE) 2004-06-24 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-20040122023-A1 Enantiomers of 1-[(4-chlorophenyl)phenylmethyl]-4-[(4-methylphenyl) sulfonyl] piperazine RPLP1, QDPR, PRLHR CHIT1 1346/4885CHIA 4665/4885MAPKAPK2 2295/4885

“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.