SCHEMBL3777299

SCHEMBL3777299

O=C(CN1CCN(c2ccc(-c3cccc(F)c3)cc2)CC1)N1CCN(C2CCC2)CC1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.55
ALDH1A1 P00352 3/20 0.49
MAPT P10636 3/20 0.49
KDM2B Q8NHM5 1/20 0.48
KDM4E B2RXH2 1/20 0.48
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
TSHR P16473 1/20 0.46
GFER P55789 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
LMNA P02545 1/20 0.46
HRH3 Q9Y5N1 1/20 0.45
HTT P42858 1/20 0.45
NPC1 O15118 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
SCHEMBL3772009 0.91 MAPT (0.49) MAPK1ALDH1A1MAPTKDM4EMEN1
SCHEMBL3773843 0.90 MEN1 (0.51) MAPK1ALDH1A1MAPTKDM4EMEN1
SCHEMBL3773726 0.90 MAPT (0.56) MAPK1ALDH1A1MAPTKDM4EMEN1
SCHEMBL3773341 0.89 MEN1 (0.56) ALDH1A1MAPTKDM4EMEN1KMT2A
SCHEMBL3762866 0.88 ALDH1A1 (0.64) ALDH1A1MAPTKDM4EMEN1KMT2A
SCHEMBL3771074 0.88 KMT2A (0.59) MAPK1ALDH1A1MAPTKDM2BMEN1
SCHEMBL3768207 0.88 MAPT (0.49) MAPK1ALDH1A1MAPTKDM2BKDM4E
SCHEMBL3772005 0.88 GFER (0.50) MAPK1ALDH1A1MAPTKDM4EMEN1
SCHEMBL3773996 0.87 KDM2B (0.51) ALDH1A1MAPTKDM2BKDM4EMEN1
SCHEMBL3773892 0.87 LMNA (0.47) MAPK1ALDH1A1MAPTKDM4EMEN1

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 MAPK1 3915/4885ALDH1A1 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.