SCHEMBL3769345

SCHEMBL3769345

COc1cccc(C=CC(=O)N2CCN(CC(=O)N3CCN(C4CCC4)CC3)CC2)c1OC

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.53
KMT2A Q03164 1/20 0.52
LMNA P02545 1/20 0.51
HPGD P15428 2/20 0.49
NFE2L2 Q16236 2/20 0.48
KDM4E B2RXH2 4/20 0.46
TRPM8 Q7Z2W7 1/20 0.45
NPC1 O15118 1/20 0.45
MAPT P10636 1/20 0.45
RAB9A P51151 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
ALDH1A1 P00352 1/20 0.44
TDP1 Q9NUW8 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
SCHEMBL3769341 1.00 L3MBTL1 (0.53) L3MBTL1KMT2ALMNAHPGDNFE2L2
SCHEMBL3772235 0.92 TDP1 (0.43) L3MBTL1KMT2ALMNAHPGDKDM4E
SCHEMBL3772240 0.92 TDP1 (0.43) L3MBTL1KMT2ALMNAHPGDKDM4E
SCHEMBL3774586 0.92 HPGD (0.60) L3MBTL1HPGDNFE2L2KDM4ENPC1
SCHEMBL3774593 0.92 HPGD (0.60) L3MBTL1HPGDNFE2L2KDM4ENPC1
SCHEMBL14190940 0.89 KMT2A (0.61) L3MBTL1KMT2ALMNAHPGDNFE2L2
SCHEMBL4382984 0.89 KMT2A (0.61) L3MBTL1KMT2ALMNAHPGDNFE2L2
SCHEMBL14190925 0.88 KMT2A (0.60) L3MBTL1KMT2ALMNAHPGDNFE2L2
SCHEMBL4386306 0.88 KMT2A (0.60) L3MBTL1KMT2ALMNAHPGDNFE2L2
SCHEMBL3765817 0.87 ITGB2 (0.42) L3MBTL1KMT2ALMNAHPGDKDM4E

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 4 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-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

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 L3MBTL1 1468/4885KMT2A 242/4885LMNA 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.