SCHEMBL3768053

SCHEMBL3768053

O=C(Cc1c(Cl)cccc1Cl)N1CCN(CC(=O)N2CCN(C3CCC3)CC2)CC1

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.57
MEN1 O00255 3/20 0.57
KDM4E B2RXH2 4/20 0.53
ALDH1A1 P00352 3/20 0.53
MAPT P10636 2/20 0.50
HRH3 Q9Y5N1 7/20 0.47
PARP1 P09874 1/20 0.46
TSHR P16473 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
KCNH2 Q12809 1/20 0.42
CCR3 P51677 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
SCHEMBL3774011 0.92 KMT2A (0.63) KMT2AMEN1KDM4EALDH1A1MAPT
SCHEMBL3774016 0.89 KDM4E (0.49) KMT2AMEN1KDM4EALDH1A1MAPT
SCHEMBL3763152 0.87 KDM4E (0.55) KMT2AMEN1KDM4EALDH1A1HRH3
SCHEMBL3799209 0.87 NPC1 (0.52) KMT2AMEN1KDM4EALDH1A1HRH3
SCHEMBL3766221 0.86 KDM4E (0.53) KMT2AMEN1KDM4EALDH1A1MAPT
SCHEMBL3767597 0.83 HTR7 (0.52) KMT2AMEN1KDM4EALDH1A1MAPT
SCHEMBL3767628 0.83 ALDH1A1 (0.59) KMT2AMEN1KDM4EALDH1A1HRH3
SCHEMBL3770185 0.83 HRH3 (0.47) KDM4EALDH1A1HRH3PARP1
SCHEMBL3769002 0.83 DRD2 (0.50) KMT2AMEN1TSHR
SCHEMBL3773907 0.82 KDM2B (0.53) KMT2AMEN1KDM4EALDH1A1PARP1

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 KMT2A 242/4885MEN1 3270/4885KDM4E 534/4885

“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.