SCHEMBL3763113

SCHEMBL3763113

CC1CCCCN1C(=O)c1ccc(N2CCN(CC(=O)N3CCN(C4CCC4)CC3)CC2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.53
HPGD P15428 1/20 0.53
L3MBTL3 Q96JM7 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
GFER P55789 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
MBTD1 Q05BQ5 1/20 0.47
TP53BP1 Q12888 1/20 0.47
L3MBTL4 Q8NA19 1/20 0.47
ALDH1A1 P00352 3/20 0.46
MAPT P10636 2/20 0.46
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA7 P43166 1/20 0.45
CA9 Q16790 1/20 0.45
CA14 Q9ULX7 1/20 0.45
LMNA P02545 3/20 0.45
HRH3 Q9Y5N1 6/20 0.45
ITGB3 P05106 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
SCHEMBL3771754 0.97 GAA (0.48) GAAHPGDL3MBTL3L3MBTL1GFER
SCHEMBL3773816 0.89 L3MBTL1 (0.51) GAAHPGDL3MBTL3L3MBTL1ALDH1A1
SCHEMBL3769783 0.89 L3MBTL3 (0.46) L3MBTL3L3MBTL1GFERSMN1; SMN2MBTD1
SCHEMBL3771828 0.87 L3MBTL3 (0.60) L3MBTL3L3MBTL1GFERSMN1; SMN2MBTD1
SCHEMBL3780602 0.86 HRH3 (0.49) GAAHPGDL3MBTL3L3MBTL1HRH3
SCHEMBL3768075 0.86 L3MBTL1 (0.49) L3MBTL3L3MBTL1ALDH1A1MAPTLMNA
SCHEMBL3767563 0.86 L3MBTL3 (0.59) L3MBTL3L3MBTL1GFERSMN1; SMN2MBTD1
SCHEMBL13005932 0.86 L3MBTL3 (0.59) L3MBTL3L3MBTL1GFERSMN1; SMN2MBTD1
SCHEMBL3761059 0.85 L3MBTL3 (0.56) HPGDL3MBTL3L3MBTL1GFERSMN1; SMN2
SCHEMBL3767816 0.83 MEN1 (0.58) GFERSMN1; SMN2ALDH1A1MAPTLMNA

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 2143/4885HPGD 377/4885L3MBTL3 1357/4885

“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.