SCHEMBL3763239

SCHEMBL3763239

CCCCCNC(=O)c1cccc(N2CCN(CC(=O)N3CCN(C4CCC4)CC3)CC2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
TSHR P16473 1/20 0.48
DRD2 P14416 2/20 0.44
ADRA1A P35348 2/20 0.44
DRD3 P35462 2/20 0.44
DRD4 P21917 1/20 0.44
MAPT P10636 2/20 0.43
MAPK8 P45983 2/20 0.43
MAPK10 P53779 2/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
POLB P06746 1/20 0.43
HSD17B10 Q99714 1/20 0.43
L3MBTL3 Q96JM7 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
GAA P10253 1/20 0.42
HDAC3 O15379 1/20 0.42
HDAC1 Q13547 1/20 0.42

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
SCHEMBL3774504 0.97 MEN1 (0.46) MEN1KMT2ATSHRDRD2ADRA1A
SCHEMBL3773979 0.94 KMT2A (0.47) MEN1KMT2ATSHRDRD4MAPT
SCHEMBL3765102 0.89 HDAC3 (0.46) DRD2DRD3DRD4MAPTALDH1A1
SCHEMBL3771699 0.88 KDM4E (0.46) MEN1KMT2ATSHRDRD4MAPT
SCHEMBL3762935 0.86 KMT2A (0.47) MEN1KMT2ATSHRDRD4MAPT
SCHEMBL3765521 0.86 MAPT (0.48) DRD2DRD3DRD4MAPTALDH1A1
SCHEMBL3767698 0.86 KMT2A (0.45) MEN1KMT2ATSHRMAPTMAPK8
SCHEMBL3769579 0.86 KDM4E (0.47) MEN1KMT2ATSHRMAPTMAPK8
SCHEMBL3767253 0.85 MEN1 (0.48) MEN1KMT2ATSHRMAPTMAPK8
SCHEMBL3767744 0.85 KMT2A (0.50) MEN1KMT2ATSHRMAPTMAPK8

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 MEN1 3270/4885KMT2A 242/4885TSHR 436/4885

“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.