SCHEMBL3770296

SCHEMBL3770296

CCOc1ccc(C(=O)N2CCN(CC(=O)N3CCN(C4CCC4)CC3)CC2)cc1OCC

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.57
GLA P06280 1/20 0.55
L3MBTL1 Q9Y468 2/20 0.55
HPGD P15428 1/20 0.55
ALOX15 P16050 1/20 0.53
F10 P00742 1/20 0.49
KDM4E B2RXH2 2/20 0.49
ALDH1A1 P00352 2/20 0.49
HRH3 Q9Y5N1 4/20 0.48
SLC6A4 P31645 3/20 0.48
HSD17B10 Q99714 1/20 0.47
LMNA P02545 1/20 0.46
MAPT P10636 1/20 0.46
L3MBTL3 Q96JM7 1/20 0.46
POLB P06746 1/20 0.46

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
SCHEMBL3761199 0.88 ALDH1A1 (0.64) L3MBTL1HPGDF10KDM4EALDH1A1
SCHEMBL3780686 0.83 ALDH1A1 (0.53) F10KDM4EALDH1A1HRH3SLC6A4
SCHEMBL3762910 0.83 ALDH1A1 (0.54) L3MBTL1HPGDALDH1A1HRH3L3MBTL3
SCHEMBL3775759 0.82 NPSR1 (0.54) NPSR1ALOX15KDM4EALDH1A1HSD17B10
SCHEMBL3765286 0.81 ALDH1A1 (0.53) NPSR1L3MBTL1HPGDKDM4EALDH1A1
SCHEMBL3769128 0.81 KMT2A (0.44) HPGDKDM4EALDH1A1HRH3LMNA
SCHEMBL3773730 0.80 HPGD (0.54) L3MBTL1HPGDKDM4EALDH1A1HRH3
SCHEMBL3767512 0.80 HPGD (0.60) L3MBTL1HPGDALDH1A1HRH3HSD17B10
SCHEMBL3766156 0.80 USP2 (0.62) L3MBTL1KDM4EALDH1A1HRH3L3MBTL3
SCHEMBL3765235 0.80 HRH3 (0.51) L3MBTL1KDM4EALDH1A1HRH3SLC6A4

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 NPSR1 357/4885GLA 3434/4885L3MBTL1 1468/4885

“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.