SCHEMBL3770028

SCHEMBL3770028

Cc1cc(C)cc(C(=O)N2CCN(CC(=O)N3CCN(C4CCC4)CC3)CC2)c1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.50
PKM P14618 1/20 0.48
HRH3 Q9Y5N1 4/20 0.47
ALDH1A1 P00352 3/20 0.47
L3MBTL3 Q96JM7 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
USP2 O75604 1/20 0.46
KDM4E B2RXH2 3/20 0.45
POLB P06746 1/20 0.45
HTT P42858 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43

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
SCHEMBL3773896 0.89 KDM2B (0.54) HPGDALDH1A1L3MBTL3L3MBTL1USP2
SCHEMBL3766156 0.88 USP2 (0.62) HRH3ALDH1A1L3MBTL3L3MBTL1USP2
SCHEMBL3765908 0.87 CCR5 (0.45) HPGDHRH3ALDH1A1L3MBTL3L3MBTL1
SCHEMBL3762910 0.86 ALDH1A1 (0.54) HPGDHRH3ALDH1A1L3MBTL3L3MBTL1
SCHEMBL3764970 0.85 KDM4E (0.53) PKMHRH3ALDH1A1L3MBTL3L3MBTL1
SCHEMBL3774645 0.85 PKM (0.69) PKMALDH1A1L3MBTL1USP2KDM4E
SCHEMBL3769940 0.84 HRH3 (0.45) HPGDPKMHRH3ALDH1A1L3MBTL3
SCHEMBL13006111 0.83 HRH3 (0.48) PKMHRH3ALDH1A1L3MBTL3L3MBTL1
SCHEMBL3769160 0.83 KMT2A (0.53) HRH3ALDH1A1USP2POLBHTT
SCHEMBL3765235 0.83 HRH3 (0.51) HRH3ALDH1A1L3MBTL3L3MBTL1KDM4E

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 HPGD 377/4885PKM 219/4885HRH3 2/4885

“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.