SCHEMBL4935570

SCHEMBL4935570

CCCC(C(=O)c1ccccc1)N1CCCC1C

nearest known ligand 0.63

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 16/20 0.63
SLC6A2 P23975 13/20 0.63
HSP90AA1 P07900 1/20 0.48
SLC6A4 P31645 10/20 0.48
KDM4E B2RXH2 1/20 0.47
LMNA P02545 1/20 0.44

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
SCHEMBL4936204 0.77 SLC6A3 (1.00) SLC6A3SLC6A2SLC6A4
Hydrochloric Acid SCHEMBL30624700 0.76 SLC6A3 (0.97) SLC6A3SLC6A2SLC6A4
SCHEMBL11614822 0.75 SLC6A2 (0.50) SLC6A3SLC6A2HSP90AA1LMNA
SCHEMBL11614824 0.75 SLC6A2 (0.50) SLC6A3SLC6A2HSP90AA1LMNA
SCHEMBL8431652 0.72 SLC6A3 (0.53) SLC6A3SLC6A2HSP90AA1SLC6A4KDM4E
SCHEMBL21271156 0.70 SLC6A3 (0.83) SLC6A3SLC6A2SLC6A4
SCHEMBL15067033 0.69 KDM4E (0.89) KDM4ELMNA
SCHEMBL15068256 0.69 KDM4E (0.89) KDM4ELMNA
SCHEMBL15068257 0.69 KDM4E (0.89) KDM4ELMNA
SCHEMBL14068917 0.69 SLC6A2 (0.52) SLC6A3SLC6A2HSP90AA1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080234498-A1 Pyrovalerone Analogues and Therapeutic Uses Thereof PRESIDENT AND FELLOW OF HARVARD COLLEGE (US) 2008-09-25 US claimed
EP-1670755-A4 PYROVALERONE ANALOGS AND THERAPEUTIC USES THEREOF HARVARD COLLEGE (US) 2007-02-28 EP claimed
EP-1670755-A2 PYROVALERONE ANALOGS AND THERAPEUTIC USES THEREOF President And Fellows of Harvard College (US) 2006-06-21 EP claimed
WO-2005034878-A2 PYROVALERONE ANALOGS AND THERAPEUTIC USES THEREOF PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2005-04-21 WO claimed
US-20080234498-A1 Pyrovalerone Analogues and Therapeutic Uses Thereof PRESIDENT AND FELLOW OF HARVARD COLLEGE (US) 2008-09-25 US disclosed
EP-1670755-A4 PYROVALERONE ANALOGS AND THERAPEUTIC USES THEREOF HARVARD COLLEGE (US) 2007-02-28 EP disclosed
EP-1670755-A2 PYROVALERONE ANALOGS AND THERAPEUTIC USES THEREOF President And Fellows of Harvard College (US) 2006-06-21 EP disclosed
WO-2005034878-A2 PYROVALERONE ANALOGS AND THERAPEUTIC USES THEREOF PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2005-04-21 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-20080234498-A1 Pyrovalerone Analogues and Therapeutic Uses Thereof SLC6A2, SLC6A4, SLC6A3 SLC6A3 3/4885SLC6A2 1/4885HSP90AA1 1847/4885

“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.