SCHEMBL3772009

SCHEMBL3772009

O=C(CN1CCN(c2ccc(-c3cc(F)cc(F)c3)cc2)CC1)N1CCN(C2CCC2)CC1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.49
ALDH1A1 P00352 4/20 0.49
KDM4E B2RXH2 1/20 0.48
GFER P55789 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
LMNA P02545 2/20 0.48
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
HRH3 Q9Y5N1 1/20 0.47
NPC1 O15118 1/20 0.47
MAPK1 P28482 3/20 0.45
RAB9A P51151 1/20 0.44
TDP1 Q9NUW8 1/20 0.44

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
SCHEMBL3773726 0.92 MAPT (0.56) MAPTALDH1A1KDM4EGFERSMN1; SMN2
SCHEMBL3777299 0.91 MAPK1 (0.55) MAPTALDH1A1KDM4EGFERSMN1; SMN2
SCHEMBL3770102 0.89 MAPT (0.59) MAPTALDH1A1KDM4EGFERSMN1; SMN2
SCHEMBL3772005 0.88 GFER (0.50) MAPTALDH1A1KDM4EGFERSMN1; SMN2
SCHEMBL3773892 0.88 LMNA (0.47) MAPTALDH1A1KDM4EGFERSMN1; SMN2
SCHEMBL3773737 0.87 MAPT (0.49) MAPTALDH1A1KDM4EGFERSMN1; SMN2
SCHEMBL3774703 0.87 GFER (0.57) MAPTALDH1A1GFERSMN1; SMN2LMNA
SCHEMBL3762866 0.87 ALDH1A1 (0.64) MAPTALDH1A1KDM4EGFERSMN1; SMN2
SCHEMBL3767937 0.87 ALDH1A1 (0.48) MAPTALDH1A1KDM4EGFERSMN1; SMN2
SCHEMBL13004959 0.87 MEN1 (0.62) MAPTALDH1A1KDM4EGFERSMN1; 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 MAPT 1475/4885ALDH1A1 1210/4885KDM4E 534/4885

“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.