SCHEMBL3767807

SCHEMBL3767807

CSc1ccc(C(=O)NC2CCN(CC(=O)N3CCN(C4CCC4)CC3)C2)cc1

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 4/20 0.56
DRD4 P21917 4/20 0.56
KMT2A Q03164 2/20 0.51
HRH3 Q9Y5N1 9/20 0.45
L3MBTL3 Q96JM7 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
SLC6A5 Q9Y345 1/20 0.41
SLC6A4 P31645 2/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A3 Q01959 1/20 0.41
MEN1 O00255 1/20 0.40

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
SCHEMBL3760993 0.94 KMT2A (0.58) DRD2DRD4KMT2AHRH3SLC6A4
SCHEMBL3768050 0.90 KMT2A (0.49) DRD2DRD4KMT2AHRH3L3MBTL3
SCHEMBL3774288 0.89 KMT2A (0.53) DRD2DRD4KMT2AHRH3MEN1
SCHEMBL3774347 0.87 SLC6A5 (0.55) DRD2DRD4KMT2AHRH3L3MBTL3
SCHEMBL3774004 0.87 DRD2 (0.51) DRD2DRD4KMT2AHRH3MEN1
SCHEMBL3776073 0.86 KMT2A (0.70) DRD4KMT2AHRH3SLC6A5MEN1
SCHEMBL3769105 0.86 KMT2A (0.51) DRD2DRD4KMT2AHRH3L3MBTL3
SCHEMBL3771229 0.85 KMT2A (0.50) DRD2DRD4KMT2AHRH3SLC6A5
SCHEMBL3773750 0.85 DRD2 (0.61) DRD2DRD4KMT2AMEN1
SCHEMBL3770062 0.85 ALDH1A1 (0.57) KMT2AHRH3SLC6A5MEN1

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 473/4885DRD4 1242/4885KMT2A 242/4885

“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.