SCHEMBL3779258

SCHEMBL3779258

Cc1ccc(C(=O)NC2CCN(CC(=O)N3CCN(C4CCC4)CC3)C2)cc1C

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.51
HRH3 Q9Y5N1 6/20 0.48
MEN1 O00255 1/20 0.46
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
F10 P00742 1/20 0.42
RIPK2 O43353 1/20 0.42
UTS2R Q9UKP6 2/20 0.42
SETD2 Q9BYW2 2/20 0.41
NSD2 O96028 1/20 0.41
CYP2C8 P10632 1/20 0.41
DRD2 P14416 1/20 0.41
HTR1B P28222 1/20 0.41
DRD4 P21917 1/20 0.41

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
SCHEMBL3768221 0.95 KMT2A (0.56) KMT2AHRH3MEN1NPC1RAB9A
SCHEMBL3774288 0.89 KMT2A (0.53) KMT2AHRH3MEN1NPC1RAB9A
SCHEMBL3762917 0.87 USP2 (0.52) KMT2AMEN1NPC1RAB9ADRD2
SCHEMBL3765381 0.87 KMT2A (0.46) KMT2AHRH3NPC1RAB9A
SCHEMBL3767649 0.85 DRD4 (0.56) DRD4
SCHEMBL3774347 0.85 SLC6A5 (0.55) KMT2AHRH3MEN1DRD2DRD4
SCHEMBL3774004 0.85 DRD2 (0.51) KMT2AHRH3MEN1DRD2DRD4
SCHEMBL3773424 0.85 KMT2A (0.61) KMT2AHRH3MEN1NPC1RAB9A
SCHEMBL3769105 0.84 KMT2A (0.51) KMT2AHRH3MEN1DRD2DRD4
SCHEMBL3767807 0.84 DRD2 (0.56) KMT2AHRH3MEN1DRD2DRD4

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 KMT2A 242/4885HRH3 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.