SCHEMBL3765368

SCHEMBL3765368

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

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.51
MAPT P10636 2/20 0.51
HRH3 Q9Y5N1 8/20 0.50
GFER P55789 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
LMNA P02545 2/20 0.49
ITGB3 P05106 1/20 0.48
ITGA2B P08514 1/20 0.48
ALOX15 P16050 1/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47

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
SCHEMBL3769793 0.98 ALDH1A1 (0.51) ALDH1A1MAPTHRH3GFERSMN1; SMN2
SCHEMBL3767816 0.89 MEN1 (0.58) ALDH1A1MAPTHRH3GFERSMN1; SMN2
SCHEMBL3762848 0.88 MEN1 (0.63) ALDH1A1MAPTHRH3GFERSMN1; SMN2
SCHEMBL13006657 0.87 ALDH1A1 (0.58) ALDH1A1MAPTHRH3GFERSMN1; SMN2
SCHEMBL3767465 0.86 MEN1 (0.58) ALDH1A1MAPTHRH3GFERSMN1; SMN2
SCHEMBL3775652 0.86 LMNA (0.58) ALDH1A1MAPTHRH3GFERSMN1; SMN2
SCHEMBL13006664 0.86 HRH3 (0.49) ALDH1A1MAPTHRH3GFERSMN1; SMN2
SCHEMBL3761202 0.86 OPRD1 (0.50) ALDH1A1MAPTHRH3GFERSMN1; SMN2
SCHEMBL3768944 0.86 ALDH1A1 (0.53) ALDH1A1MAPTHRH3GFERSMN1; SMN2
SCHEMBL13006659 0.86 HRH3 (0.51) ALDH1A1MAPTHRH3GFERSMN1; SMN2

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 ALDH1A1 1210/4885MAPT 1475/4885HRH3 2/4885

“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.