SCHEMBL3769002

SCHEMBL3769002

O=C(CN1CCN(c2cccc(Cl)c2Cl)CC1)N1CCN(C2CCC2)CC1

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 15/20 0.50
DRD3 P35462 14/20 0.50
OPRK1 P41145 1/20 0.50
HTR2A P28223 1/20 0.50
DRD4 P21917 2/20 0.48
HTR1A P08908 2/20 0.48
HTR7 P34969 2/20 0.48
MEN1 O00255 1/20 0.47
TSHR P16473 1/20 0.47
KMT2A Q03164 1/20 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
SCHEMBL3772593 0.98 DRD2 (0.51) DRD2DRD3OPRK1HTR2ADRD4
SCHEMBL3767597 0.92 HTR7 (0.52) HTR7MEN1TSHRKMT2A
SCHEMBL13004961 0.90 MEN1 (0.54) HTR7MEN1TSHRKMT2A
SCHEMBL3769112 0.89 MEN1 (0.55) DRD2DRD3HTR7MEN1TSHR
SCHEMBL3770185 0.84 HRH3 (0.47)
SCHEMBL3799209 0.84 NPC1 (0.52) MEN1TSHRKMT2A
SCHEMBL3772531 0.83 GFER (0.50) MEN1TSHRKMT2A
SCHEMBL3774250 0.83 MAPT (0.60) MEN1TSHRKMT2A
SCHEMBL3768053 0.83 KMT2A (0.57) MEN1TSHRKMT2A
SCHEMBL3767997 0.82 TSHR (0.53) MEN1TSHRKMT2A

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 DRD2 473/4885DRD3 569/4885OPRK1 287/4885

“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.