SCHEMBL3767778

SCHEMBL3767778

Cc1ccc(C2(O)CCN(CC(=O)N3CCN(C4CCC4)CC3)CC2)cc1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.45
USP2 O75604 1/20 0.44
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 2/20 0.43
DRD2 P14416 1/20 0.43
HTR2C P28335 1/20 0.42
HTT P42858 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
HRH3 Q9Y5N1 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C19 P33261 1/20 0.40
PARP1 P09874 1/20 0.40

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
SCHEMBL3766299 0.89 HRH3 (0.54) DRD2HRH3
SCHEMBL3770400 0.88 KMT2A (0.54) LMNAKDM4EALDH1A1HTTSMN1; SMN2
SCHEMBL3772438 0.87 NPSR1 (0.44) KDM4EALDH1A1HTTNPSR1HRH3
SCHEMBL3765913 0.86 ALDH1A1 (0.57) LMNAKDM4EALDH1A1HTTSMN1; SMN2
SCHEMBL3774342 0.85 NPSR1 (0.46) KDM4EALDH1A1HTTNPSR1HRH3
SCHEMBL3771973 0.82 ALDH1A1 (0.46) KDM4EALDH1A1HTTNPSR1HRH3
SCHEMBL13005270 0.81 ALDH1A1 (0.48) LMNAUSP2KDM4EALDH1A1HTT
SCHEMBL3777229 0.80 KMT2A (0.60) KDM4EALDH1A1HRH3SMN1; SMN2
SCHEMBL3766156 0.80 USP2 (0.62) USP2KDM4EALDH1A1HRH3
SCHEMBL3775652 0.80 LMNA (0.58) LMNAKDM4EALDH1A1HTTHRH3

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 LMNA 2902/4885USP2 2954/4885KDM4E 534/4885

“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.