SCHEMBL3774016

SCHEMBL3774016

O=C(Cc1c(Cl)ccc(Cl)c1Cl)N1CCN(CC(=O)N2CCN(C3CCC3)CC2)CC1

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.49
ALDH1A1 P00352 2/20 0.49
HRH3 Q9Y5N1 10/20 0.46
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
PARP1 P09874 1/20 0.43
GFER P55789 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MAPT P10636 1/20 0.41
L3MBTL1 Q9Y468 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
SCHEMBL3768053 0.89 KMT2A (0.57) KDM4EALDH1A1HRH3KMT2AMEN1
SCHEMBL3774011 0.84 KMT2A (0.63) KDM4EALDH1A1HRH3KMT2AMEN1
SCHEMBL3769176 0.83 HRH3 (0.57) KDM4EALDH1A1HRH3KMT2A
SCHEMBL3763152 0.81 KDM4E (0.55) KDM4EALDH1A1HRH3KMT2AMEN1
SCHEMBL3770031 0.81 KDM4E (0.61) KDM4EALDH1A1HRH3KMT2AMEN1
SCHEMBL3766221 0.80 KDM4E (0.53) KDM4EALDH1A1HRH3KMT2AMEN1
SCHEMBL3773594 0.80 CCR3 (0.52) KDM4EALDH1A1HRH3KMT2AMEN1
SCHEMBL3769002 0.80 DRD2 (0.50) KMT2AMEN1
SCHEMBL3770185 0.80 HRH3 (0.47) KDM4EALDH1A1HRH3PARP1L3MBTL1
SCHEMBL3799209 0.79 NPC1 (0.52) KDM4EALDH1A1HRH3KMT2AMEN1

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 6 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

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 1210/4885HRH3 2/4885

“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.