SCHEMBL3767757

SCHEMBL3767757

O=C1NC2(CCN(CC(=O)N3CCN(C4CCC4)CC3)CC2)c2ccccc21

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 6/20 0.49
PARP1 P09874 2/20 0.46
ALDH1A1 P00352 5/20 0.44
KDM4E B2RXH2 4/20 0.44
NPY5R Q15761 1/20 0.41
TNKS O95271 1/20 0.39
TNKS2 Q9H2K2 1/20 0.39
MEN1 O00255 1/20 0.39
MAPT P10636 2/20 0.39
TSHR P16473 1/20 0.39
ALOX12 P18054 1/20 0.39
HTT P42858 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
LMNA P02545 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL3770407 0.84 PARP1 (0.41) HRH3PARP1ALDH1A1KDM4EHTT
SCHEMBL3770771 0.80 SIGMAR1 (0.51) HRH3PARP1ALDH1A1KDM4ENPY5R
SCHEMBL3772647 0.80 ALDH1A1 (0.44) HRH3PARP1ALDH1A1KDM4EMAPT
SCHEMBL3763129 0.79 OPRM1 (0.55) HRH3PARP1ALDH1A1KDM4EMEN1
SCHEMBL3767749 0.78 SIGMAR1 (0.51) HRH3PARP1ALDH1A1KDM4ENPY5R
SCHEMBL3802741 0.78 SIGMAR1 (0.50) HRH3PARP1ALDH1A1KDM4ENPY5R
SCHEMBL13005666 0.77 KDM4E (0.42) HRH3PARP1ALDH1A1KDM4EMAPT
SCHEMBL3771973 0.76 ALDH1A1 (0.46) HRH3PARP1ALDH1A1KDM4EMAPT
SCHEMBL3768031 0.76 ALDH1A1 (0.47) HRH3PARP1ALDH1A1KDM4ELMNA
SCHEMBL3762803 0.75 OPRL1 (0.57) PARP1ALDH1A1KDM4E

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 HRH3 2/4885PARP1 3744/4885ALDH1A1 1210/4885

“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.