SCHEMBL3770022

SCHEMBL3770022

Cc1ccc(-c2ccc(N3CCN(CC(=O)N4CCN(C5CCC5)CC4)CC3)cc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.55
HRH3 Q9Y5N1 2/20 0.53
MAPT P10636 4/20 0.52
ALDH1A1 P00352 3/20 0.52
GFER P55789 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
HTT P42858 1/20 0.50
KDM4E B2RXH2 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
TSHR P16473 1/20 0.45
GAA P10253 1/20 0.45
EGFR P00533 1/20 0.44
TYMS P04818 1/20 0.44
LTA4H P09960 1/20 0.44
VDR P11473 1/20 0.44
SRC P12931 1/20 0.44
MAPK1 P28482 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
SCHEMBL3775652 0.96 LMNA (0.58) LMNAHRH3MAPTALDH1A1GFER
SCHEMBL3763143 0.94 LMNA (0.58) LMNAHRH3MAPTALDH1A1GFER
SCHEMBL3767518 0.93 LMNA (0.57) LMNAHRH3MAPTALDH1A1GFER
SCHEMBL3773737 0.92 MAPT (0.49) LMNAHRH3MAPTALDH1A1GFER
SCHEMBL3762866 0.90 ALDH1A1 (0.64) LMNAHRH3MAPTALDH1A1GFER
SCHEMBL3768207 0.90 MAPT (0.49) LMNAHRH3MAPTALDH1A1GFER
SCHEMBL3769109 0.89 MAPT (0.48) LMNAHRH3MAPTALDH1A1GFER
SCHEMBL3769905 0.89 MEN1 (0.55) LMNAHRH3MAPTALDH1A1GFER
SCHEMBL3761269 0.89 ALDH1A1 (0.50) LMNAHRH3MAPTALDH1A1GFER
SCHEMBL3774550 0.89 GFER (0.67) HRH3MAPTALDH1A1GFERSMN1; 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 LMNA 2902/4885HRH3 2/4885MAPT 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.