SCHEMBL4937657

SCHEMBL4937657

CCCC(C(=O)c1ccc(O)cc1)N1CCCC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 19/20 1.00
SLC6A2 P23975 16/20 1.00
SLC6A4 P31645 11/20 0.78

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
Hydrochloric Acid SCHEMBL17644171 0.98 SLC6A3 (0.97) SLC6A3SLC6A2SLC6A4
Pyrovalerone SCHEMBL4930605 0.88 SLC6A3 (1.00) SLC6A3SLC6A2SLC6A4
Pyrovalerone SCHEMBL4929129 0.88 SLC6A3 (1.00) SLC6A3SLC6A2SLC6A4
Pyrovalerone SCHEMBL164376 0.88 SLC6A3 (1.00) SLC6A3SLC6A2SLC6A4
SCHEMBL4930647 0.87 SLC6A3 (0.76) SLC6A3SLC6A2SLC6A4
SCHEMBL4937387 0.87 SLC6A3 (1.00) SLC6A3SLC6A2SLC6A4
SCHEMBL4933112 0.87 SLC6A3 (1.00) SLC6A3SLC6A2SLC6A4
SCHEMBL4938098 0.87 SLC6A3 (1.00) SLC6A3SLC6A2SLC6A4
Pyrovalerone SCHEMBL121638 0.87 SLC6A3 (0.97) SLC6A3SLC6A2SLC6A4
SCHEMBL4936204 0.86 SLC6A3 (1.00) SLC6A3SLC6A2SLC6A4

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 13 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
EP-3002592-B1 IMPROVED IMMUNOASSAY FOR PYRROLIDINOPHENONES RANDOX LABORATORIES LTD (GB) 2018-02-21 EP disclosed
EP-3002592-B1 IMPROVED IMMUNOASSAY FOR PYRROLIDINOPHENONES RANDOX LABORATORIES LTD (GB) 2018-02-21 EP disclosed
US-9671415-B2 Immunoassay for pyrrolidinophenones RANDOX LABORATORIES LIMITED (GB) 2017-06-06 US disclosed
US-20160097783-A1 IMMUNOASSAY FOR PYRROLIDINOPHENONES NORTHERN BANK LIMITED (IE) 2016-04-07 US disclosed
EP-3002592-A1 IMPROVED IMMUNOASSAY FOR PYRROLIDINOPHENONES Randox Laboratories Ltd. (GB) 2016-04-06 EP disclosed
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 (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-20080234498-A1 Pyrovalerone Analogues and Therapeutic Uses Thereof SLC6A2, SLC6A4, SLC6A3 SLC6A3 3/4885SLC6A2 1/4885SLC6A4 2/4885
US-20160097783-A1 IMMUNOASSAY FOR PYRROLIDINOPHENONES CYP2D6, CYP2B6, CYP3A43 SLC6A3 690/4885SLC6A2 1912/4885SLC6A4 600/4885

“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.