SCHEMBL3773446

SCHEMBL3773446

CCC(C)N1CCN(C(=O)CN2CCN(c3ccc(OC)cc3)CC2)CC1

nearest known ligand 0.69

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.69
LMNA P02545 2/20 0.69
HSD17B10 Q99714 2/20 0.53
TSHR P16473 1/20 0.53
MAPT P10636 5/20 0.52
ALDH1A1 P00352 4/20 0.52
MAPK1 P28482 2/20 0.52
RAB9A P51151 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
GFER P55789 3/20 0.52
PKM P14618 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
L3MBTL1 Q9Y468 2/20 0.51
KMT2A Q03164 3/20 0.51
MEN1 O00255 2/20 0.51
REV1 Q9UBZ9 1/20 0.50
KDM4E B2RXH2 1/20 0.50
ALOX15 P16050 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
SCHEMBL3767437 0.88 GFER (0.59) GAALMNATSHRMAPTALDH1A1
SCHEMBL3768910 0.87 MAPT (0.56) GAALMNAMAPTALDH1A1TDP1
SCHEMBL3765826 0.87 LMNA (0.53) GAALMNAHSD17B10MAPTALDH1A1
SCHEMBL3767262 0.86 SMN1; SMN2 (0.67) GAALMNATSHRMAPTALDH1A1
SCHEMBL3768041 0.86 LMNA (0.54) GAALMNAMAPTALDH1A1MAPK1
SCHEMBL3768253 0.86 MAPT (0.72) GAALMNAMAPTALDH1A1PKM
SCHEMBL3776150 0.86 LMNA (0.67) GAALMNAHSD17B10TSHRMAPT
SCHEMBL3769361 0.85 ALDH1A1 (0.53) GAALMNAMAPTALDH1A1MAPK1
SCHEMBL3763274 0.85 ALDH1A1 (0.51) GAALMNATSHRMAPTALDH1A1
SCHEMBL3767834 0.84 LMNA (0.50) GAALMNATSHRMAPTALDH1A1

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 GAA 2143/4885LMNA 2902/4885HSD17B10 1328/4885

“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.