SCHEMBL297013

SCHEMBL297013

COC(=O)C(CC=O)c1ccc(Cl)c(Cl)c1

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 9/20 0.50
SLC6A2 P23975 2/20 0.46
SLC6A4 P31645 2/20 0.46
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
HTT P42858 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
TSHR P16473 1/20 0.41
L3MBTL1 Q9Y468 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
SCHEMBL20826436 0.89 SLC6A3 (0.42) SLC6A3SLC6A2SLC6A4ALDH1A1LMNA
SCHEMBL5879125 0.87 SLC6A3 (0.49) SLC6A3SLC6A2SLC6A4ALDH1A1LMNA
SCHEMBL5879124 0.87 SLC6A3 (0.49) SLC6A3SLC6A2SLC6A4ALDH1A1LMNA
SCHEMBL624561 0.87 SLC6A3 (0.49) SLC6A3SLC6A2SLC6A4ALDH1A1LMNA
SCHEMBL632673 0.86 SLC6A3 (0.48) SLC6A3SLC6A2SLC6A4ALDH1A1LMNA
SCHEMBL10651696 0.83 SLC6A3 (0.46) SLC6A3SLC6A2SLC6A4ALDH1A1LMNA
SCHEMBL20826234 0.83 L3MBTL1 (0.57) SLC6A3SLC6A2SLC6A4L3MBTL1
SCHEMBL3333892 0.81 AKR1C3 (0.45) ALDH1A1LMNAHTTSMN1; SMN2TSHR
SCHEMBL20826237 0.81 KMT2A (0.45) SMN1; SMN2L3MBTL1
SCHEMBL8602519 0.81 SLC6A3 (0.41) SLC6A3SLC6A2SLC6A4ALDH1A1LMNA

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 30 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2200982-B1 PIPERIDINE DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2012-03-14 EP disclosed
EP-2200982-B1 PIPERIDINE DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2012-03-14 EP disclosed
EP-2099806-B1 SPIROPIPERIDINE DERIVATIVES AS NK3 ANTAGONISTS HOFFMANN LA ROCHE (CH) 2012-02-22 EP disclosed
US-20110021565-A1 PIPERIDINE DERIVATIVES AS NK3 ANTAGONISTS KNUST HENNER 2011-01-27 US disclosed
US-20110021565-A1 PIPERIDINE DERIVATIVES AS NK3 ANTAGONISTS KNUST HENNER 2011-01-27 US disclosed
US-20110021565-A1 PIPERIDINE DERIVATIVES AS NK3 ANTAGONISTS KNUST HENNER 2011-01-27 US disclosed
EP-2200982-A1 PIPERIDINE DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS F. Hoffmann-Roche AG (CH) 2010-06-30 EP disclosed
EP-2167509-A1 PIPERAZINE AND Ý1,4¨DIAZEPAN DERIVATIVES AS NK ANTAGONISTS F. Hoffmann-Roche AG (CH) 2010-03-31 EP disclosed
US-7592345-B2 Piperazine and [1,4]diazepan derivatives as NK antagonists HOFFMANN-LA ROCHE INC. (US) 2009-09-22 US disclosed
US-7592345-B2 Piperazine and [1,4]diazepan derivatives as NK antagonists HOFFMANN-LA ROCHE INC. (US) 2009-09-22 US disclosed
US-20080312216-A1 PIPERAZINE AND [1,4]DIAZEPAN DERIVATIVES AS NK ANTAGONISTS HOFFMANN-LA ROCHE, INC. 2008-12-18 US disclosed
US-20080312216-A1 PIPERAZINE AND [1,4]DIAZEPAN DERIVATIVES AS NK ANTAGONISTS HOFFMANN-LA ROCHE, INC. 2008-12-18 US disclosed
US-20080312216-A1 PIPERAZINE AND [1,4]DIAZEPAN DERIVATIVES AS NK ANTAGONISTS HOFFMANN-LA ROCHE, INC. 2008-12-18 US disclosed
WO-2008151969-A1 PIPERAZINE AND [1,4] DIAZEPAN DERIVATIVES AS NK ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2008-12-18 WO disclosed
WO-2008151969-A1 PIPERAZINE AND [1,4] DIAZEPAN DERIVATIVES AS NK ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2008-12-18 WO disclosed
US-20080176839-A1 SPIROPIPERIDINE DERIVATIVES AS NK3 ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2008-07-24 US disclosed
US-20080176839-A1 SPIROPIPERIDINE DERIVATIVES AS NK3 ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2008-07-24 US disclosed
US-20080176839-A1 SPIROPIPERIDINE DERIVATIVES AS NK3 ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2008-07-24 US disclosed
WO-2008081012-A1 SPIROPIPERIDINE DERIVATIVES AS NK3 ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2008-07-10 WO disclosed
WO-2008081012-A1 SPIROPIPERIDINE DERIVATIVES AS NK3 ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2008-07-10 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 (3 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-20080312216-A1 PIPERAZINE AND [1,4]DIAZEPAN DERIVATIVES AS NK ANTAGONISTS DRD3, KCND3, GRIN3A SLC6A3 15/4885SLC6A2 365/4885SLC6A4 373/4885
US-20080176839-A1 SPIROPIPERIDINE DERIVATIVES AS NK3 ANTAGONISTS ADRB3, KCNK3, KCND3 SLC6A3 8/4885SLC6A2 177/4885SLC6A4 215/4885
US-20110021565-A1 PIPERIDINE DERIVATIVES AS NK3 ANTAGONISTS DRD2, DRD3, OPRL1 SLC6A3 14/4885SLC6A2 163/4885SLC6A4 201/4885

“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.