SCHEMBL3768032

SCHEMBL3768032

COc1cccc(OC)c1C(=O)N1CCN(CC(=O)N2CCN(C3CCC3)CC2)CC1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.52
ALDH1A1 P00352 5/20 0.52
HTT P42858 2/20 0.52
LMNA P02545 1/20 0.52
MAPT P10636 1/20 0.52
TDP1 Q9NUW8 2/20 0.48
TSHR P16473 2/20 0.46
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
TP53 P04637 1/20 0.46
POLB P06746 1/20 0.46
ALOX15 P16050 1/20 0.46
MAPK1 P28482 1/20 0.46

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
SCHEMBL3770107 0.88 KDM4E (0.66) KDM4EALDH1A1HTTTDP1TSHR
SCHEMBL3774589 0.87 KDM4E (0.64) KDM4EALDH1A1HTTLMNATDP1
SCHEMBL3773733 0.86 KMT2A (0.44) KDM4EALDH1A1HTTTSHRKMT2A
SCHEMBL3764939 0.86 F10 (0.44) KDM4EALDH1A1TSHRKMT2A
SCHEMBL3763003 0.85 CCR5 (0.58) KDM4EALDH1A1HTTKMT2AMEN1
SCHEMBL3799209 0.84 NPC1 (0.52) KDM4EALDH1A1TSHRKMT2AMEN1
SCHEMBL3776056 0.83 KMT2A (0.57) KDM4EALDH1A1TDP1TSHRKMT2A
SCHEMBL3773641 0.83 KMT2A (0.64) KDM4EALDH1A1HTTLMNAMAPT
SCHEMBL3779383 0.83 KMT2A (0.52) KDM4EALDH1A1TDP1KMT2AMEN1
SCHEMBL3761223 0.83 ALDH1A1 (0.53) KDM4EALDH1A1HTTLMNAKMT2A

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 KDM4E 534/4885ALDH1A1 1210/4885HTT 608/4885

“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.