SCHEMBL3770189

SCHEMBL3770189

CC(=O)c1ccc(N2CCNCC2=O)cc1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.49
ALDH1A1 P00352 5/20 0.46
SLC6A2 P23975 2/20 0.44
SLC6A4 P31645 2/20 0.44
SLC6A3 Q01959 2/20 0.44
MAPKAPK2 P49137 1/20 0.44
OPRD1 P41143 1/20 0.43
KMT2A Q03164 3/20 0.43
ADAM17 P78536 1/20 0.42
RAB9A P51151 3/20 0.41
NPC1 O15118 2/20 0.41
MAPT P10636 1/20 0.40
HPGD P15428 2/20 0.40
GFER P55789 1/20 0.40
USP2 O75604 1/20 0.39
TSHR P16473 1/20 0.39
HSD17B10 Q99714 1/20 0.39

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
SCHEMBL3371018 0.84 BCAT2 (0.46) ALDH1A1SLC6A2SLC6A4SLC6A3MAPKAPK2
SCHEMBL25240100 0.80 ALDH1A1 (0.51) ALDH1A1KMT2ARAB9ANPC1HPGD
SCHEMBL8286227 0.80 ADRB1 (0.52) L3MBTL1ALDH1A1SLC6A2SLC6A4SLC6A3
SCHEMBL1584076 0.80 SLC6A2 (0.49) ALDH1A1SLC6A2SLC6A4SLC6A3MAPKAPK2
Hydrochloric Acid SCHEMBL25279480 0.79 ALDH1A1 (0.50) ALDH1A1KMT2ARAB9ANPC1HPGD
Hydrochloric Acid SCHEMBL1583739 0.79 SLC6A2 (0.50) ALDH1A1SLC6A2SLC6A4SLC6A3MAPKAPK2
SCHEMBL19002557 0.79 L3MBTL1 (0.53) L3MBTL1ALDH1A1OPRD1KMT2AADAM17
SCHEMBL3656969 0.78 SLC6A2 (0.50) ALDH1A1SLC6A2SLC6A4SLC6A3MAPKAPK2
SCHEMBL25676620 0.78 ALDH1A1 (0.59) L3MBTL1ALDH1A1KMT2AADAM17RAB9A
SCHEMBL85663 0.78 SLC6A2 (0.50) L3MBTL1ALDH1A1SLC6A2SLC6A4SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7851474-B2 Dipiperazinyl ketones and related analogues NEUROGEN CORPORATION (US) 2010-12-14 US disclosed
US-7851474-B2 Dipiperazinyl ketones and related analogues NEUROGEN CORPORATION (US) 2010-12-14 US disclosed
US-7851474-B2 Dipiperazinyl ketones and related analogues NEUROGEN CORPORATION (US) 2010-12-14 US disclosed
EP-1909797-A2 DIPIPERAZINYL KETONES AND RELATED ANALOGUES NEUROGEN CORPORATION (US) 2008-04-16 EP disclosed
US-20070049571-A1 Dipiperazinyl ketones and related analogues NEUROGEN CORPORATION 2007-03-01 US disclosed
US-20070049571-A1 Dipiperazinyl ketones and related analogues NEUROGEN CORPORATION 2007-03-01 US disclosed
US-20070049571-A1 Dipiperazinyl ketones and related analogues NEUROGEN CORPORATION 2007-03-01 US disclosed
WO-2007016496-A2 DIPIPERAZINYL KETONES AND RELATED ANALOGUES NEUROGEN CORPORATION (US) 2007-02-08 WO disclosed
WO-2007016496-A2 DIPIPERAZINYL KETONES AND RELATED ANALOGUES NEUROGEN CORPORATION (US) 2007-02-08 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-20070049571-A1 Dipiperazinyl ketones and related analogues HRH4, HRH3, HRH1 L3MBTL1 1468/4885ALDH1A1 1210/4885SLC6A2 2380/4885

“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.