SCHEMBL3765482

SCHEMBL3765482

COc1ccc(-c2ccc(N3CCN(CC(=O)N4CCN(C5CCC5)CC4)CC3)cc2)cc1C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.45
ALOX15 P16050 1/20 0.45
ALDH1A1 P00352 6/20 0.44
KDM4E B2RXH2 3/20 0.44
TLR8 Q9NR97 1/20 0.44
TLR7 Q9NYK1 1/20 0.44
MAPT P10636 4/20 0.44
MAPK1 P28482 4/20 0.44
GFER P55789 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HRH3 Q9Y5N1 1/20 0.43
TSHR P16473 1/20 0.43
LMNA P02545 2/20 0.43
GAA P10253 1/20 0.43
TDP1 Q9NUW8 2/20 0.42
RAB9A P51151 1/20 0.42
ACHE P22303 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42

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
SCHEMBL3773763 0.92 HSD17B10 (0.53) HSD17B10ALOX15ALDH1A1KDM4ETLR8
SCHEMBL3774486 0.90 ALDH1A1 (0.46) HSD17B10ALOX15ALDH1A1KDM4ETLR8
SCHEMBL3769109 0.89 MAPT (0.48) ALDH1A1KDM4EMAPTMAPK1GFER
SCHEMBL3761169 0.88 ACVR1 (0.46) HSD17B10ALOX15ALDH1A1KDM4ETLR8
SCHEMBL3776108 0.87 ALDH1A1 (0.46) HSD17B10ALOX15ALDH1A1KDM4EMAPT
SCHEMBL3768088 0.87 GFER (0.47) ALDH1A1KDM4EMAPTMAPK1GFER
SCHEMBL3774521 0.86 GAA (0.57) HSD17B10ALOX15ALDH1A1KDM4EMAPT
SCHEMBL3765294 0.86 ALDH1A1 (0.51) HSD17B10ALOX15ALDH1A1KDM4EMAPT
SCHEMBL3767712 0.85 HSD17B10 (0.50) HSD17B10ALOX15ALDH1A1KDM4EMAPT
SCHEMBL3773249 0.85 KDM2B (0.51) ALDH1A1KDM4EMAPTMAPK1SMN1; 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 HSD17B10 1328/4885ALOX15 4011/4885ALDH1A1 1210/4885

“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.