SCHEMBL3761202

SCHEMBL3761202

CCN(CC)C(=O)c1ccc(N2CCN(CC(=O)N3CCN(C4CCC4)CC3)CC2)cc1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 4/20 0.50
OPRK1 P41145 2/20 0.48
OPRM1 P35372 1/20 0.48
ALDH1A1 P00352 2/20 0.48
MAPT P10636 2/20 0.48
GFER P55789 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
LMNA P02545 2/20 0.47
HRH3 Q9Y5N1 3/20 0.47
ITGB3 P05106 1/20 0.46
ITGA2B P08514 1/20 0.46
ALOX15 P16050 1/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
KDM4E B2RXH2 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43

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
SCHEMBL13006661 0.89 ALDH1A1 (0.50) ALDH1A1MAPTGFERSMN1; SMN2LMNA
SCHEMBL3773836 0.88 ALDH1A1 (0.45) OPRD1ALDH1A1MAPTGFERSMN1; SMN2
SCHEMBL3768093 0.88 HRH3 (0.46) OPRD1OPRK1OPRM1ALDH1A1MAPT
SCHEMBL3765368 0.86 ALDH1A1 (0.51) ALDH1A1MAPTGFERSMN1; SMN2LMNA
SCHEMBL3767816 0.86 MEN1 (0.58) ALDH1A1MAPTGFERSMN1; SMN2LMNA
SCHEMBL3767799 0.86 ALDH1A1 (0.46) ALDH1A1MAPTGFERSMN1; SMN2LMNA
SCHEMBL3772310 0.86 ALDH1A1 (0.46) ALDH1A1MAPTGFERSMN1; SMN2LMNA
SCHEMBL13006657 0.85 ALDH1A1 (0.58) ALDH1A1MAPTGFERSMN1; SMN2LMNA
SCHEMBL3769793 0.84 ALDH1A1 (0.51) ALDH1A1MAPTGFERSMN1; SMN2LMNA
SCHEMBL3767465 0.84 MEN1 (0.58) ALDH1A1MAPTGFERSMN1; SMN2LMNA

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
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
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

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 OPRD1 824/4885OPRK1 287/4885OPRM1 743/4885

“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.