SCHEMBL4679800

SCHEMBL4679800

CS(=O)(=O)Nc1ccccc1C1CCNCC1

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 8/20 0.51
HTR6 P50406 4/20 0.45
EGFR P00533 4/20 0.45
L3MBTL1 Q9Y468 1/20 0.42
KEAP1 Q14145 1/20 0.42
HTR1A P08908 1/20 0.42
SLC6A2 P23975 1/20 0.42
SLC6A4 P31645 1/20 0.42
SLC6A3 Q01959 1/20 0.42

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
Hydrochloric Acid SCHEMBL7676942 0.98 HTR2C (0.53) HTR2CHTR6EGFRL3MBTL1KEAP1
Trifluoroacetic Acid SCHEMBL8330605 0.88 HTR2C (0.45) HTR2CHTR6EGFR
SCHEMBL28604468 0.87 KDM4E (0.42) HTR2CEGFRL3MBTL1
SCHEMBL17383406 0.82 HTR6 (0.47) HTR6
SCHEMBL22542135 0.81 HTR6 (0.45) HTR2CHTR6EGFRHTR1ASLC6A2
SCHEMBL30123462 0.79 KDM4E (0.41) L3MBTL1KEAP1
SCHEMBL14417269 0.78 PTGS1 (0.50) HTR6EGFRL3MBTL1KEAP1
SCHEMBL20883959 0.77 FASN (0.38) HTR2CHTR6EGFRL3MBTL1HTR1A
SCHEMBL24628532 0.77 MCOLN2 (0.45) HTR2CHTR6L3MBTL1KEAP1
SCHEMBL23323177 0.76 ADRA2A (0.42) L3MBTL1KEAP1

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
EP-1416933-B8 SUBSTITUTED PIPERIDINES AS MODULATORS OF THE MELANOCORTIN RECEPTOR AMGEN INC (US) 2008-08-27 EP disclosed
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
EP-1416933-A1 SUBSTITUTED PIPERIDINES AS MODULATORS OF THE MELANOCORTIN RECEPTOR Amgem, Inc. (US) 2004-05-12 EP disclosed
US-20040006067-A1 Substituted piperidines and methods of use AMGEN INC. 2004-01-08 US disclosed
WO-2003009847-A1 SUBSTITUTED PIPERIDINES AS MODULATORS OF THE MELANOCORTIN RECEPTOR AMGEM, INC. (US) 2003-02-06 WO disclosed
CN-1309638-A N-substituted naphthamides as neurokinin receptor antagonists ASTRAZENECA AB (SE) 2001-08-22 CN 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 HTR2C 129/4885HTR6 206/4885EGFR 3487/4885

“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.