SCHEMBL16645849

SCHEMBL16645849

CC(C)[S@@+]([O-])N[C@@H]1CCc2ccc(C(F)(F)F)cc21

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.48
HTR2C P28335 4/20 0.42
HTR2B P41595 4/20 0.42
HTR2A P28223 3/20 0.42
CCR2 P41597 7/20 0.38
SLC6A4 P31645 2/20 0.36
TRPV1 Q8NER1 1/20 0.35
CHRNB2 P17787 2/20 0.35
CHRNA4 P43681 2/20 0.35
CHRNB4 P30926 1/20 0.35
CHRNA3 P32297 1/20 0.35
PNMT P11086 1/20 0.35
SRD5A1 P18405 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
SCHEMBL14848186 1.00 KDM1A (0.48) KDM1AHTR2CHTR2BHTR2ACCR2
SCHEMBL14829890 0.83 KDM1A (0.49) KDM1AHTR2CHTR2BHTR2ACCR2
SCHEMBL14829889 0.83 KDM1A (0.49) KDM1AHTR2CHTR2BHTR2ACCR2
SCHEMBL16727084 0.74 KDM1A (0.48) KDM1AHTR2CHTR2BHTR2ACCR2
SCHEMBL24496048 0.72 HTR2C (0.50) KDM1AHTR2CHTR2BHTR2ACCR2
SCHEMBL15933206 0.70 HTR2C (0.67) KDM1AHTR2CHTR2BHTR2ASLC6A4
SCHEMBL16727086 0.68 KDM1A (0.42) KDM1AHTR2CHTR2BHTR2ACCR2
Methylamine SCHEMBL28776714 0.67 HTR2C (0.51) KDM1AHTR2CHTR2BHTR2ASLC6A4
SCHEMBL14305498 0.67 HTR2C (0.48) KDM1AHTR2CHTR2BHTR2ASLC6A4
SCHEMBL30563689 0.67 HTR2A (0.38) KDM1AHTR2CHTR2ASLC6A4TRPV1

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-20150105376-A1 QUINOLINONE CARBOXAMIDE INHIBITORS OF ENDOTHELIAL LIPASE BRISTOL MYERS SQUIBB CO (US) 2015-04-16 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-20150105376-A1 QUINOLINONE CARBOXAMIDE INHIBITORS OF ENDOTHELIAL LIPASE LIPG, PNLIP, LPL KDM1A 346/4885HTR2C 1546/4885HTR2B 1157/4885

“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.