SCHEMBL3779475

SCHEMBL3779475

CC(Oc1ccccc1Cl)C(=O)N1CCN(CC(=O)N2CCN(C3CCC3)CC2)CC1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.54
SMN1; SMN2 Q16637 3/20 0.54
HPGD P15428 1/20 0.54
TP53 P04637 1/20 0.54
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
HRH3 Q9Y5N1 3/20 0.44
KDM4E B2RXH2 3/20 0.42
APOBEC3A P31941 2/20 0.42
APOBEC3G Q9HC16 2/20 0.42
PARP1 P09874 1/20 0.42
MAPT P10636 2/20 0.42
HTT P42858 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
LMNA P02545 1/20 0.41
ALOX12 P18054 1/20 0.41
POLB P06746 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
SCHEMBL3767951 0.89 MEN1 (0.55) ALDH1A1SMN1; SMN2HPGDTP53MEN1
SCHEMBL3762902 0.89 SMN1; SMN2 (0.56) ALDH1A1SMN1; SMN2HPGDTP53MEN1
SCHEMBL3767216 0.86 KDM4E (0.52) ALDH1A1HPGDKMT2AHRH3KDM4E
SCHEMBL3766137 0.85 LMNA (0.48) ALDH1A1SMN1; SMN2MEN1KMT2AHRH3
SCHEMBL3767725 0.84 HRH3 (0.49) ALDH1A1SMN1; SMN2HPGDKMT2AHRH3
SCHEMBL3773850 0.83 MEN1 (0.47) ALDH1A1SMN1; SMN2MEN1KMT2AHRH3
SCHEMBL3768125 0.83 MEN1 (0.62) ALDH1A1SMN1; SMN2HPGDTP53MEN1
SCHEMBL3767597 0.78 HTR7 (0.52) ALDH1A1SMN1; SMN2TP53MEN1KMT2A
SCHEMBL3774139 0.78 EPHX2 (0.49) ALDH1A1HPGDMEN1KMT2AHRH3
SCHEMBL3773907 0.77 KDM2B (0.53) ALDH1A1MEN1KMT2AKDM4EPARP1

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 ALDH1A1 1210/4885SMN1; SMN2 4282/4885HPGD 377/4885

“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.