SCHEMBL5394752

SCHEMBL5394752

O=C(O)CC1CCCN1S(=O)(=O)c1ccccc1C(F)(F)F

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 1/20 0.55
KMT2A Q03164 3/20 0.50
MEN1 O00255 1/20 0.50
GAA P10253 2/20 0.46
ALDH1A1 P00352 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
RAB9A P51151 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
FFAR1 O14842 1/20 0.43
HTR7 P34969 1/20 0.42
BRD4 O60885 1/20 0.42
BRD2 P25440 1/20 0.42
KCNQ1 P51787 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
SCHEMBL4344983 0.96 HCRTR1 (0.52) HCRTR1KMT2AMEN1GAAALDH1A1
SCHEMBL3446573 0.83 HCRTR1 (0.53) HCRTR1KMT2AMEN1GAAALDH1A1
SCHEMBL702503 0.83 HCRTR1 (0.48) HCRTR1KMT2AMEN1GAAALDH1A1
SCHEMBL3441729 0.83 OPRM1 (0.54) HCRTR1KMT2AMEN1GAAALDH1A1
SCHEMBL4436227 0.83 OPRM1 (0.54) HCRTR1KMT2AMEN1GAAALDH1A1
SCHEMBL3728863 0.83 HCRTR1 (0.65) HCRTR1KMT2AMEN1GAAL3MBTL1
SCHEMBL3441492 0.82 HCRTR1 (0.48) HCRTR1KMT2AMEN1GAAALDH1A1
SCHEMBL699933 0.82 HCRTR1 (0.48) HCRTR1KMT2AMEN1GAAALDH1A1
SCHEMBL3441949 0.81 KMT2A (0.54) HCRTR1KMT2AMEN1GAAALDH1A1
SCHEMBL8066388 0.81 HCRTR1 (0.51) HCRTR1KMT2AMEN1GAAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7199244-B2 Cyclic amine derivatives and methods of use AMGEN (US) 2007-04-03 US disclosed
EP-1633743-A1 CYCLIC AMINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF INFLAMMATION-RELATED DISORDERS MEDIATED BY BRADYKININ Amgen, Inc. (US) 2006-03-15 EP disclosed
US-20050234044-A1 Cyclic amine derivatives and methods of use AMGEN INC. 2005-10-20 US disclosed
WO-2004092164-A1 CYCLIC AMINE DERIVATIVES AND THEIR USE IN THE TREATMENT OF INFLAMMATION-RELATED DISORDERS MEDIATED BY BRADYKININ AMGEN, INC. (US) 2004-10-28 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-20050234044-A1 Cyclic amine derivatives and methods of use PTGIS, BDKRB2, LTC4S HCRTR1 814/4885KMT2A 2372/4885MEN1 3227/4885

“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.