SCHEMBL3780653

SCHEMBL3780653

Cc1cccc(C(=O)N2CCN(CC(=O)N3CCN(C4CCC4)CC3)CC2)c1F

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 1/20 0.49
HRH3 Q9Y5N1 4/20 0.46
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
HTT P42858 2/20 0.44
NPSR1 Q6W5P4 1/20 0.44
CCR5 P51681 1/20 0.44
HPGD P15428 1/20 0.43
TP53BP1 Q12888 1/20 0.43
L3MBTL3 Q96JM7 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
PARP1 P09874 2/20 0.43
RAB9A P51151 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
SCHEMBL3772875 0.89 FNTA (0.51) HRH3MEN1KMT2AHTTNPSR1
SCHEMBL3767212 0.89 HTT (0.56) HTTNPSR1TP53BP1L3MBTL3L3MBTL1
SCHEMBL3770070 0.87 CHRM2 (0.51) HRH3MEN1KMT2AHTTNPSR1
SCHEMBL3763003 0.85 CCR5 (0.58) HRH3MEN1KMT2AHTTNPSR1
SCHEMBL3773954 0.84 MEN1 (0.62) MEN1KMT2AHTTTP53BP1L3MBTL3
SCHEMBL3761223 0.81 ALDH1A1 (0.53) HRH3MEN1KMT2AHTTKDM4E
SCHEMBL3772561 0.81 ALDH1A1 (0.52) HRH3MEN1KMT2AHTTNPSR1
SCHEMBL3770185 0.81 HRH3 (0.47) HRH3TP53BP1L3MBTL3L3MBTL1KDM4E
SCHEMBL3780472 0.81 ALDH1A1 (0.59) HRH3MEN1KMT2ATP53BP1L3MBTL3
SCHEMBL3773969 0.81 L3MBTL3 (0.49) HRH3KMT2AHTTNPSR1HPGD

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 MGLL 2299/4885HRH3 2/4885MEN1 3270/4885

“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.