SCHEMBL4698432

SCHEMBL4698432

Fc1ccc(C2CCNCC2)cc1.O=S(=O)(Cl)Cl

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 2/20 0.51
SLC18A3 Q16572 1/20 0.50
SIGMAR1 Q99720 1/20 0.50
HTR3A P46098 1/20 0.44
QDPR P09417 1/20 0.43
SLC6A2 P23975 3/20 0.43
SLC6A4 P31645 3/20 0.43
SLC6A3 Q01959 3/20 0.43
HTR1A P08908 2/20 0.43
TNKS O95271 2/20 0.42
TNKS2 Q9H2K2 2/20 0.42
MKNK1 Q9BUB5 1/20 0.42
MKNK2 Q9HBH9 1/20 0.42
HTR6 P50406 1/20 0.41

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
SCHEMBL240518 0.89 HTR2C (0.62) HTR2CSLC18A3SIGMAR1HTR3AQDPR
Hydrochloric Acid SCHEMBL377800 0.87 HTR2C (0.63) HTR2CSLC18A3SIGMAR1HTR3AQDPR
SCHEMBL1237703 0.81 HTR2C (0.55) HTR2CSLC18A3SIGMAR1HTR3AQDPR
Hydrochloric Acid SCHEMBL6809356 0.79 HTR2C (0.44) HTR2CSLC18A3SIGMAR1TNKSTNKS2
SCHEMBL3045406 0.79 HTR2C (0.51) HTR2CSLC18A3SIGMAR1QDPRSLC6A2
SCHEMBL3040992 0.79 SLC6A2 (0.62) HTR2CSLC18A3SIGMAR1SLC6A2SLC6A4
SCHEMBL2937820 0.77 HTR3A (0.66) HTR2CSLC18A3SIGMAR1HTR3A
SCHEMBL1707108 0.77 HTR3A (0.66) HTR2CSLC18A3SIGMAR1HTR3A
SCHEMBL1828844 0.77 HTR3A (0.66) HTR2CSLC18A3SIGMAR1HTR3A
SCHEMBL27479343 0.76 HTR2C (0.49) HTR2CSLC18A3SIGMAR1HTR3AQDPR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1444202-B1 NOVEL METALLOPROTEINASE INHIBITORS ASTRAZENECA AB (SE) 2008-10-15 EP disclosed
US-7132434-B2 Metalloproteinase inhibitors ASTRAZENECA AB (SE) 2006-11-07 US disclosed
US-20050026990-A1 Novel metalloproteinase ihibitors ASTRAZENECA AB (SE) 2005-02-03 US disclosed
EP-1444202-A1 NOVEL METALLOPROTEINASE INHIBITORS AstraZeneca AB (SE) 2004-08-11 EP disclosed
WO-2003040098-A1 NOVEL METALLOPROTEINASE INHIBITORS ASTRAZENECA AB (SE) 2003-05-15 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-20050026990-A1 Novel metalloproteinase ihibitors MMP12, MMP1, MMP16 HTR2C 4220/4885SLC18A3 4114/4885SIGMAR1 4738/4885

“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.