SCHEMBL3779305

SCHEMBL3779305

CC(C)c1ccc(C(=O)NC2CCN(CC(=O)N3CCN(C4CCC4)CC3)CC2)cc1

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.58
HRH3 Q9Y5N1 7/20 0.50
EPHX2 P34913 2/20 0.45
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
F10 P00742 1/20 0.44
LMNA P02545 1/20 0.42
DRD2 P14416 1/20 0.42
HTR2A P28223 1/20 0.42
DRD3 P35462 1/20 0.42
ACKR3 P25106 1/20 0.42
CARM1 Q86X55 1/20 0.42
PRMT6 Q96LA8 1/20 0.42
HTR1A P08908 1/20 0.41
HTR7 P34969 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
SCHEMBL3769105 0.94 KMT2A (0.51) KMT2AHRH3EPHX2LMNADRD2
SCHEMBL3773424 0.89 KMT2A (0.61) KMT2AHRH3NPC1RAB9ALMNA
SCHEMBL3762894 0.86 KMT2A (0.57) KMT2ALMNACARM1PRMT6
SCHEMBL13006775 0.86 KMT2A (0.79) KMT2AHRH3F10
SCHEMBL3760993 0.86 KMT2A (0.58) KMT2AHRH3NPC1RAB9AF10
SCHEMBL3774069 0.85 KMT2A (0.57) KMT2AHRH3NPC1RAB9AF10
SCHEMBL3768221 0.84 KMT2A (0.56) KMT2AHRH3NPC1RAB9AF10
SCHEMBL3780450 0.84 KMT2A (0.64) KMT2AHRH3
SCHEMBL3770279 0.84 KMT2A (0.56) KMT2AHRH3NPC1RAB9AF10
SCHEMBL3780518 0.84 ALDH1A1 (0.56) KMT2AHRH3LMNA

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 2/4885EPHX2 928/4885

“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.