SCHEMBL3768039

SCHEMBL3768039

CCOc1ccccc1C=CC(=O)N1CCN(CC(=O)N2CCN(C3CCC3)CC2)CC1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.48
HPGD P15428 2/20 0.47
MAPT P10636 4/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
PARP1 P09874 1/20 0.43
KMT2A Q03164 1/20 0.42
HCN1 O60741 2/20 0.42
HCN4 Q9Y3Q4 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.41
ALDH1A1 P00352 2/20 0.41
LMNA P02545 1/20 0.41
ATM Q13315 1/20 0.41
ACHE P22303 1/20 0.40
GAA P10253 1/20 0.40
F2R P25116 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
SCHEMBL3768034 1.00 KDM4E (0.48) KDM4EHPGDMAPTSMN1; SMN2NPC1
SCHEMBL3774593 0.90 HPGD (0.60) KDM4EHPGDMAPTSMN1; SMN2NPC1
SCHEMBL3774586 0.90 HPGD (0.60) KDM4EHPGDMAPTSMN1; SMN2NPC1
SCHEMBL3767754 0.87 GPR183 (0.41) KDM4EHPGDSMN1; SMN2PARP1KMT2A
SCHEMBL3767758 0.87 GPR183 (0.41) KDM4EHPGDSMN1; SMN2PARP1KMT2A
SCHEMBL3763096 0.85 APP (0.47) KDM4EHPGDMAPTPARP1KMT2A
SCHEMBL3763100 0.85 APP (0.47) KDM4EHPGDMAPTPARP1KMT2A
SCHEMBL3769345 0.84 L3MBTL1 (0.53) KDM4EHPGDMAPTSMN1; SMN2NPC1
SCHEMBL3769341 0.84 L3MBTL1 (0.53) KDM4EHPGDMAPTSMN1; SMN2NPC1
SCHEMBL3803380 0.83 C3AR1 (0.47) KDM4EMAPTPARP1KMT2AL3MBTL1

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 534/4885HPGD 377/4885MAPT 1475/4885

“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.