SCHEMBL3774253

SCHEMBL3774253

O=C(CN1CCN(C(=O)c2cccnc2Sc2ccc(Cl)cc2)CC1)N1CCN(C2CCC2)CC1

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 14/20 0.44
SMN1; SMN2 Q16637 2/20 0.40
ALDH1A1 P00352 2/20 0.40
KDM4E B2RXH2 1/20 0.40
HTT P42858 1/20 0.40
KCNH2 Q12809 1/20 0.40
GFER P55789 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL3767714 0.92 HRH3 (0.50) HRH3ALDH1A1KDM4EHTTKMT2A
SCHEMBL13005958 0.85 KMT2A (0.55) HRH3ALDH1A1KDM4EKMT2A
SCHEMBL3769123 0.83 HSD11B1 (0.44) HRH3ALDH1A1KDM4EHTTKMT2A
SCHEMBL3780728 0.82 POLB (0.57) HRH3KCNH2KMT2A
SCHEMBL3801955 0.81 KMT2A (0.41) HRH3ALDH1A1KDM4EKMT2A
SCHEMBL3773393 0.79 LMNA (0.43) HRH3SMN1; SMN2ALDH1A1KDM4EHTT
SCHEMBL3770169 0.78 KDM4E (0.46) HRH3ALDH1A1KDM4EKMT2A
SCHEMBL3773907 0.77 KDM2B (0.53) ALDH1A1KDM4EKMT2A
SCHEMBL3774758 0.77 HRH3 (0.63) HRH3SMN1; SMN2KDM4EKCNH2GFER
SCHEMBL4978229 0.77 HSP90AB1 (0.50) HRH3SMN1; SMN2KDM4EHTT

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 HRH3 2/4885SMN1; SMN2 4282/4885ALDH1A1 1210/4885

“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.