SCHEMBL3767528

SCHEMBL3767528

O=C(CN1CCN(C(=O)c2ccc(Cl)nc2)CC1)N1CCN(C2CCC2)CC1

nearest known ligand 0.53

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 15/20 0.53
KCNH2 Q12809 2/20 0.53
RAB9A P51151 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.50
L3MBTL3 Q96JM7 2/20 0.49
L3MBTL1 Q9Y468 2/20 0.49

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
SCHEMBL523887 0.86 HRH3 (0.68) HRH3KCNH2L3MBTL3L3MBTL1
SCHEMBL3774758 0.85 HRH3 (0.63) HRH3KCNH2SMN1; SMN2L3MBTL3L3MBTL1
Hydrochloric Acid SCHEMBL524379 0.85 HRH3 (0.67) HRH3KCNH2L3MBTL3L3MBTL1
SCHEMBL3768862 0.85 HRH3 (0.48) HRH3KCNH2L3MBTL3L3MBTL1
SCHEMBL24185708 0.85 RAB9A (0.60) HRH3KCNH2RAB9ASMN1; SMN2L3MBTL3
SCHEMBL3773373 0.84 KDM4E (0.52) HRH3KCNH2L3MBTL3L3MBTL1
SCHEMBL3774042 0.83 HRH3 (0.49) HRH3KCNH2L3MBTL3L3MBTL1
SCHEMBL13005941 0.83 KDM4E (0.54) HRH3KCNH2L3MBTL3L3MBTL1
SCHEMBL3765811 0.83 KDM4E (0.54) HRH3KCNH2L3MBTL3L3MBTL1
SCHEMBL13006111 0.83 HRH3 (0.48) HRH3L3MBTL3L3MBTL1

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 HRH3 2/4885KCNH2 130/4885RAB9A 3824/4885

“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.