SCHEMBL3762903

SCHEMBL3762903

O=C(CN1CCN(c2ccc(-c3ccncc3)cc2)CC1)N1CCN(C2CCC2)CC1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.54
ALDH1A1 P00352 3/20 0.51
MAPT P10636 2/20 0.51
GFER P55789 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
KDM4E B2RXH2 2/20 0.46
KDM2B Q8NHM5 1/20 0.45
MAPK3 P27361 1/20 0.45
MAPK1 P28482 1/20 0.45
MAP2K2 P36507 1/20 0.45
MAP2K1 Q02750 1/20 0.45
MAPK6 Q16659 1/20 0.45
LMNA P02545 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
SCHEMBL3768949 0.89 HRH3 (0.52) HRH3ALDH1A1MAPTGFERSMN1; SMN2
SCHEMBL3774147 0.89 HRH3 (0.55) HRH3ALDH1A1MAPTGFERSMN1; SMN2
SCHEMBL3762866 0.89 ALDH1A1 (0.64) HRH3ALDH1A1MAPTGFERSMN1; SMN2
SCHEMBL3773726 0.88 MAPT (0.56) HRH3ALDH1A1MAPTGFERSMN1; SMN2
SCHEMBL3770022 0.88 LMNA (0.55) HRH3ALDH1A1MAPTGFERSMN1; SMN2
SCHEMBL3774550 0.88 GFER (0.67) HRH3ALDH1A1MAPTGFERSMN1; SMN2
SCHEMBL3777307 0.87 ME2 (0.52) HRH3ALDH1A1MAPTGFERSMN1; SMN2
SCHEMBL3761269 0.86 ALDH1A1 (0.50) HRH3ALDH1A1MAPTGFERSMN1; SMN2
SCHEMBL3769905 0.86 MEN1 (0.55) HRH3ALDH1A1MAPTGFERSMN1; SMN2
SCHEMBL3772009 0.85 MAPT (0.49) HRH3ALDH1A1MAPTGFERSMN1; SMN2

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 2/4885ALDH1A1 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.