SCHEMBL497594

SCHEMBL497594

c1ccc(C2(C3CCCC3)CC2)cc1

nearest known ligand 0.56

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.56
SLC6A4 P31645 1/20 0.56
SLC6A3 Q01959 1/20 0.56

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
SCHEMBL58980 0.91 SLC6A2 (0.62) SLC6A2SLC6A4SLC6A3
SCHEMBL498559 0.91 SLC6A2 (0.46) SLC6A2SLC6A4SLC6A3
SCHEMBL14983899 0.86 SLC6A2 (0.49) SLC6A2SLC6A4SLC6A3
Biphenyl SCHEMBL9493971 0.86 SLC6A2 (0.57) SLC6A2SLC6A4SLC6A3
SCHEMBL11542949 0.84 SLC6A2 (0.51) SLC6A2SLC6A4SLC6A3
SCHEMBL11542945 0.84 SLC6A2 (0.51) SLC6A2SLC6A4SLC6A3
Acetic Acid SCHEMBL13735750 0.83 SLC6A2 (0.58) SLC6A2SLC6A4SLC6A3
SCHEMBL22773245 0.81 OPRM1 (0.50) SLC6A2SLC6A4SLC6A3
SCHEMBL15367393 0.81 SLC6A2 (0.60) SLC6A2SLC6A4SLC6A3
SCHEMBL11104102 0.80 SLC6A2 (0.51) SLC6A2SLC6A4SLC6A3

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
WO-2018149419-A1 MACROCYCLIC BROAD SPECTRUM ANTIBIOTICS RQX PHARMACEUTICALS, INC. (US) 2018-08-23 WO disclosed
EP-2157084-B1 5-PHENYL-3-PYRIDAZINONE DERIVATIVE KOWA CO (JP) 2013-05-22 EP disclosed
US-8106053-B2 5-phenyl-3-pyridazinone derivative KOWA COMPANY, LTD. 2012-01-31 US disclosed
US-20100324091-A1 Pyrazolone Derivative KOWA COMPANY, LTD. (JP) 2010-12-23 US disclosed
US-20100197698-A1 5-PHENYL-3-PYRIDAZINONE DERIVATIVE KOWA COMPANY, LTD. (JP) 2010-08-05 US disclosed
EP-2172458-A1 PYRAZOLONE DERIVATIVE Kowa Company, Ltd. (JP) 2010-04-07 EP disclosed
EP-2157084-A1 5-PHENYL-3-PYRIDAZINONE DERIVATIVE Kowa Company, Ltd. (JP) 2010-02-24 EP 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 (2 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-20100197698-A1 5-PHENYL-3-PYRIDAZINONE DERIVATIVE SERPINE1, MMP1, PLAT SLC6A2 4213/4885SLC6A4 3564/4885SLC6A3 2551/4885
US-20100324091-A1 Pyrazolone Derivative SERPINE1, SERPINC1, TFPI SLC6A2 4641/4885SLC6A4 3594/4885SLC6A3 2717/4885

“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.