SCHEMBL3772228

SCHEMBL3772228

CC(c1ccccc1)N1CCN(C(=O)CN2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CC1

nearest known ligand 0.63

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.63
TDP1 Q9NUW8 1/20 0.63
NPSR1 Q6W5P4 2/20 0.61
PKM P14618 1/20 0.61
MEN1 O00255 1/20 0.58
POLB P06746 1/20 0.58
LMNA P02545 2/20 0.57
GAA P10253 1/20 0.57
MAPT P10636 10/20 0.57
ALDH1A1 P00352 9/20 0.57
SMN1; SMN2 Q16637 2/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
HTR1A P08908 1/20 0.55
HTT P42858 2/20 0.54
CYP2C19 P33261 1/20 0.54
TP53 P04637 1/20 0.52

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
SCHEMBL3771708 0.87 KMT2A (0.71) KMT2ATDP1NPSR1PKMMEN1
SCHEMBL14608971 0.85 PKM (0.66) KMT2ANPSR1PKMMEN1LMNA
SCHEMBL3780659 0.84 KMT2A (0.67) KMT2ATDP1NPSR1PKMMEN1
SCHEMBL3763147 0.84 PKM (0.65) KMT2ANPSR1PKMMEN1LMNA
SCHEMBL3440117 0.80 KMT2A (0.77) KMT2ATDP1MEN1POLBMAPT
SCHEMBL3762814 0.78 MAPT (0.78) KMT2ANPSR1PKMMEN1LMNA
SCHEMBL3712630 0.75 MEN1 (0.61) KMT2AMEN1POLBLMNAGAA
SCHEMBL11552763 0.75 SIRT6 (0.56) POLBLMNAMAPTALDH1A1SMN1; SMN2
SCHEMBL4470929 0.75 IGF1R (0.57) KMT2ATDP1PKMMEN1GAA
SCHEMBL16824855 0.75 POLB (0.73) KMT2ATDP1MEN1POLBLMNA

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 6 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

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 242/4885TDP1 4483/4885NPSR1 357/4885

“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.