SCHEMBL3767504

SCHEMBL3767504

O=C(CN1CCN(c2cnccn2)CC1)N1CCN(C2CCCCC2)CC1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.45
ALDH1A1 P00352 7/20 0.45
HSD17B10 Q99714 1/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
DPP4 P27487 2/20 0.43
DPP8 Q6V1X1 1/20 0.43
DPP7 Q9UHL4 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
SLC6A7 Q99884 1/20 0.42
HRH3 Q9Y5N1 2/20 0.41
DRD2 P14416 1/20 0.41
DRD3 P35462 1/20 0.41
GPR119 Q8TDV5 1/20 0.41

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
SCHEMBL3769016 0.99 DPP4 (0.44) KDM4EALDH1A1HSD17B10MEN1KMT2A
SCHEMBL3780579 0.97 HRH3 (0.44) KDM4EALDH1A1HSD17B10MEN1KMT2A
SCHEMBL13004950 0.83 ALDH1A1 (0.63) KDM4EALDH1A1HSD17B10KMT2AHRH3
SCHEMBL13004952 0.80 KDM4E (0.67) KDM4EALDH1A1HSD17B10DPP4DPP8
SCHEMBL3774207 0.80 HRH3 (0.43) KDM4EALDH1A1MEN1KMT2ATDP1
SCHEMBL3773396 0.79 KDM4E (0.42) KDM4EALDH1A1MEN1KMT2ATDP1
SCHEMBL3777238 0.79 SMN1; SMN2 (0.53) KDM4EALDH1A1MEN1KMT2ADPP4
SCHEMBL3768205 0.78 HRH3 (0.46) KDM4EALDH1A1MEN1KMT2ATDP1
SCHEMBL3773951 0.78 ALDH1A1 (0.51) KDM4EALDH1A1MEN1KMT2ATDP1
SCHEMBL3769780 0.78 ALDH1A1 (0.51) KDM4EALDH1A1HSD17B10MEN1KMT2A

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 KDM4E 534/4885ALDH1A1 1210/4885HSD17B10 1328/4885

“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.