SCHEMBL3767649

SCHEMBL3767649

O=C(NC1CCN(CC(=O)N2CCN(C3CCC3)CC2)C1)c1ccc2ccccc2c1

nearest known ligand 0.56

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 15/20 0.56
SLC6A12 P48065 1/20 0.55
SLC6A13 Q9NSD5 1/20 0.55
MCHR1 Q99705 3/20 0.49

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
SCHEMBL3803764 0.94 DRD4 (0.60) DRD4SLC6A12SLC6A13
SCHEMBL3774004 0.88 DRD2 (0.51) DRD4MCHR1
SCHEMBL3773750 0.86 DRD2 (0.61) DRD4
SCHEMBL3768127 0.86 KMT2A (0.54) DRD4
SCHEMBL3779258 0.85 KMT2A (0.51) DRD4
SCHEMBL3780573 0.85 PKM (0.54) DRD4MCHR1
SCHEMBL3762917 0.85 USP2 (0.52) DRD4
SCHEMBL3762907 0.84 MCHR1 (0.58) MCHR1
SCHEMBL3774288 0.84 KMT2A (0.53) DRD4
SCHEMBL3769105 0.83 KMT2A (0.51) DRD4

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 DRD4 1242/4885SLC6A12 2780/4885SLC6A13 2070/4885

“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.