SCHEMBL3769985

SCHEMBL3769985

O=C(CN1CCN(c2cccc(C(F)(F)F)c2)CC1)N1CCN(C2CCCCC2)CC1

nearest known ligand 0.59

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
POLB P06746 4/20 0.59
MEN1 O00255 2/20 0.58
KMT2A Q03164 2/20 0.58
ALDH1A1 P00352 2/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
HTR7 P34969 1/20 0.56

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
SCHEMBL3773978 0.99 POLB (0.60) POLBMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL3762865 0.97 POLB (0.61) POLBMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL3769215 0.87 ME2 (0.54) MEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL3777242 0.86 MEN1 (0.55) MEN1KMT2AALDH1A1
SCHEMBL3773996 0.86 KDM2B (0.51) POLBMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL3763137 0.86 ME2 (0.55) MEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL3773736 0.85 MEN1 (0.72) POLBMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL13004965 0.85 MEN1 (0.56) MEN1KMT2AALDH1A1
SCHEMBL26706279 0.84 ALDH1A1 (0.76) POLBKMT2AALDH1A1SMN1; SMN2HTR7
SCHEMBL26706278 0.84 ALDH1A1 (0.76) POLBKMT2AALDH1A1SMN1; SMN2HTR7

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 5 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-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 POLB 4363/4885MEN1 3270/4885KMT2A 242/4885

“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.