SCHEMBL3767508

SCHEMBL3767508

O=C(Cc1ccccc1OC(F)(F)F)N1CCN(CC(=O)N2CCN(C3CCC3)CC2)CC1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.49
ALDH1A1 P00352 3/20 0.49
KMT2A Q03164 2/20 0.47
SIGMAR1 Q99720 2/20 0.45
SLC6A4 P31645 1/20 0.44
HRH3 Q9Y5N1 1/20 0.44
EPHX2 P34913 6/20 0.44
PARP1 P09874 1/20 0.43
CCR3 P51677 1/20 0.43
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
TSHR P16473 1/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
OPRD1 P41143 1/20 0.41
OPRK1 P41145 1/20 0.41
MEN1 O00255 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2J2 P51589 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
SCHEMBL3773641 0.86 KMT2A (0.64) KDM4EALDH1A1KMT2ASIGMAR1CCR3
SCHEMBL3767746 0.86 HSD11B1 (0.51) KDM4EALDH1A1KMT2ASLC6A4HRH3
SCHEMBL3767678 0.84 KMT2A (0.53) KDM4EALDH1A1KMT2ASIGMAR1PARP1
SCHEMBL3774296 0.84 KDM4E (0.53) KDM4EALDH1A1KMT2ASIGMAR1SLC6A4
SCHEMBL3769769 0.84 KDM4E (0.60) KDM4EALDH1A1KMT2ASIGMAR1HRH3
SCHEMBL3775648 0.83 KDM4E (0.57) KDM4EALDH1A1KMT2ASIGMAR1HRH3
SCHEMBL3770228 0.83 KDM4E (0.55) KDM4EALDH1A1PARP1CCR3MAPT
SCHEMBL3775904 0.81 HRH3 (0.54) KDM4EALDH1A1KMT2AHRH3EPHX2
SCHEMBL3763152 0.81 KDM4E (0.55) KDM4EALDH1A1KMT2AHRH3PARP1
SCHEMBL3772003 0.81 CCR3 (0.55) KDM4EALDH1A1KMT2APARP1CCR3

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 1210/4885KMT2A 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.