SCHEMBL3770117

SCHEMBL3770117

O=C(CN1CC=C(c2ccccc2)CC1)N1CCN(C2CCC2)CC1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 8/20 0.54
▸ ALDH1A1 P00352 3/20 0.54
▸ MAPT P10636 3/20 0.54
▸ HTT P42858 1/20 0.49
▸ NPSR1 Q6W5P4 1/20 0.49
▸ KMT2A Q03164 3/20 0.49
▸ MEN1 O00255 2/20 0.49
▸ LMNA P02545 2/20 0.47
▸ SIGMAR1 Q99720 1/20 0.47
▸ PARP1 P09874 1/20 0.45
▸ USP2 O75604 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45

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
SCHEMBL14516232 0.77 MEN1 (0.66) KDM4EALDH1A1MAPTKMT2AMEN1
SCHEMBL1018644 0.77 ALDH1A1 (0.59) KDM4EALDH1A1KMT2AMEN1PARP1
SCHEMBL1016153 0.77 ALDH1A1 (0.48) KDM4EALDH1A1HTTNPSR1KMT2A
SCHEMBL3777456 0.77 KDM4E (0.58) KDM4EALDH1A1HTTNPSR1KMT2A
SCHEMBL3762866 0.77 ALDH1A1 (0.64) KDM4EALDH1A1MAPTHTTNPSR1
SCHEMBL3772641 0.77 ALDH1A1 (0.69) KDM4EALDH1A1MAPTHTTNPSR1
SCHEMBL1603699 0.76 RAB9A (0.55) KDM4EALDH1A1MAPTHTTNPSR1
SCHEMBL3770129 0.76 ALDH1A1 (0.80) KDM4EALDH1A1MAPTHTTKMT2A
SCHEMBL3770368 0.76 KDM4E (0.67) KDM4EALDH1A1HTTKMT2AMEN1
SCHEMBL3767674 0.76 ALDH1A1 (0.74) KDM4EALDH1A1MAPTNPSR1KMT2A

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 1210/4885MAPT 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.

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