SCHEMBL3773744

SCHEMBL3773744

CCC(C)N1CCN(C(=O)CN2CCN(c3cccc(C)c3C)CC2)CC1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.60
ALDH1A1 P00352 6/20 0.60
LMNA P02545 5/20 0.60
KDM4E B2RXH2 2/20 0.60
ALOX15 P16050 1/20 0.60
HSD17B10 Q99714 1/20 0.60
KMT2A Q03164 6/20 0.53
MEN1 O00255 5/20 0.53
HTT P42858 1/20 0.53
NPC1 O15118 2/20 0.53
RAB9A P51151 2/20 0.53
HPGD P15428 2/20 0.51
GAA P10253 1/20 0.51
SMN1; SMN2 Q16637 2/20 0.50
TSHR P16473 1/20 0.50
MAPK1 P28482 1/20 0.50
GLA P06280 1/20 0.49
XBP1 P17861 1/20 0.49
CASP1 P29466 1/20 0.49
CASP7 P55210 1/20 0.49

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
SCHEMBL3776234 0.92 KDM4E (0.52) MAPTALDH1A1LMNAKDM4EALOX15
SCHEMBL3761233 0.90 MAPT (0.64) MAPTALDH1A1LMNAKDM4EALOX15
SCHEMBL3777268 0.88 ALDH1A1 (0.52) MAPTALDH1A1LMNAKDM4EALOX15
SCHEMBL3773450 0.85 KDM4E (0.52) MAPTALDH1A1LMNAKDM4EKMT2A
SCHEMBL3773870 0.84 DRD2 (0.58) KDM4E
SCHEMBL3763010 0.84 KMT2A (0.55) MAPTALDH1A1LMNAKDM4EHSD17B10
SCHEMBL3763130 0.83 TSHR (0.62) MAPTALDH1A1LMNAKMT2AMEN1
SCHEMBL13006332 0.83 TSHR (0.50) MAPTALDH1A1LMNAKDM4EKMT2A
SCHEMBL3768311 0.81 USP2 (0.57) MAPTALDH1A1LMNAKDM4EHSD17B10
SCHEMBL3768253 0.81 MAPT (0.72) MAPTALDH1A1LMNAKDM4EKMT2A

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 1210/4885LMNA 2902/4885

“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.