SCHEMBL3767658

SCHEMBL3767658

O=C(Cc1ccc(F)cc1Cl)N1CCN(CC(=O)N2CCN(C3CCC3)CC2)CC1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
KDM4E B2RXH2 2/20 0.46
ALDH1A1 P00352 2/20 0.46
HRH3 Q9Y5N1 4/20 0.43
P2RX7 Q99572 3/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
CCR3 P51677 2/20 0.42
EPHX2 P34913 1/20 0.41
PARP1 P09874 1/20 0.41
HTT P42858 1/20 0.40

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
SCHEMBL3767704 0.89 ALDH1A1 (0.47) KDM4EALDH1A1HRH3CCR3PARP1
SCHEMBL3773594 0.89 CCR3 (0.52) MEN1KMT2AKDM4EALDH1A1HRH3
SCHEMBL3763152 0.84 KDM4E (0.55) MEN1KMT2AKDM4EALDH1A1HRH3
SCHEMBL3774201 0.82 ALDH1A1 (0.61) MEN1KMT2AKDM4EALDH1A1HRH3
SCHEMBL3768082 0.81 KDM4E (0.59) MEN1KMT2AKDM4EALDH1A1HRH3
SCHEMBL3770228 0.80 KDM4E (0.55) KDM4EALDH1A1CCR3PARP1
SCHEMBL3769176 0.79 HRH3 (0.57) KMT2AKDM4EALDH1A1HRH3NPC1
SCHEMBL3768053 0.79 KMT2A (0.57) MEN1KMT2AKDM4EALDH1A1HRH3
SCHEMBL3774011 0.79 KMT2A (0.63) MEN1KMT2AKDM4EALDH1A1HRH3
SCHEMBL3770806 0.79 HRH3 (0.48) MEN1KMT2AKDM4EALDH1A1HRH3

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 242/4885KDM4E 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.