SCHEMBL3769131

SCHEMBL3769131

CC(C)(C)c1ccc(Oc2ncccc2C(=O)N2CCN(CC(=O)N3CCN(C4CCC4)CC3)CC2)cc1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.47
KDM4E B2RXH2 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HRH3 Q9Y5N1 7/20 0.41
SCN5A Q14524 1/20 0.41
SCN2A Q99250 1/20 0.41
SCN10A Q9Y5Y9 1/20 0.41
ALDH1A1 P00352 1/20 0.40
KCNH2 Q12809 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
SCHEMBL3769925 0.89 HRH3 (0.52) POLBKDM4EHRH3ALDH1A1
SCHEMBL3780728 0.89 POLB (0.57) POLBHRH3KCNH2
SCHEMBL3770169 0.85 KDM4E (0.46) KDM4EHRH3ALDH1A1
SCHEMBL3773716 0.81 NPC1 (0.42) POLBKDM4ESMN1; SMN2HRH3ALDH1A1
SCHEMBL3777134 0.80 KDM4E (0.57) KDM4ESMN1; SMN2HRH3ALDH1A1
SCHEMBL4978874 0.78 HSP90AB1 (0.45) POLBKDM4ESMN1; SMN2SCN10A
SCHEMBL13005958 0.77 KMT2A (0.55) KDM4EHRH3ALDH1A1
SCHEMBL13005903 0.76 ALDH1A1 (0.52) KDM4EHRH3ALDH1A1
SCHEMBL3769123 0.76 HSD11B1 (0.44) POLBKDM4EHRH3ALDH1A1
SCHEMBL3767212 0.75 HTT (0.56) POLBKDM4EALDH1A1

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 POLB 4363/4885KDM4E 534/4885SMN1; SMN2 4282/4885

“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.