SCHEMBL3767394

SCHEMBL3767394

O=C(CN1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1)N1CCN(C2CCC2)CC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 5/20 0.56
MEN1 O00255 1/20 0.53
HPGD P15428 1/20 0.53
TSHR P16473 1/20 0.53
KMT2A Q03164 1/20 0.53
L3MBTL3 Q96JM7 5/20 0.53
L3MBTL1 Q9Y468 4/20 0.53
SIGMAR1 Q99720 1/20 0.53
GAA P10253 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
KDM4E B2RXH2 3/20 0.49
SLC6A4 P31645 2/20 0.48
POLB P06746 1/20 0.48
ALDH1A1 P00352 1/20 0.48
MBTD1 Q05BQ5 1/20 0.48
TP53BP1 Q12888 1/20 0.48
L3MBTL4 Q8NA19 1/20 0.48
SLC6A2 P23975 1/20 0.48
SLC6A3 Q01959 1/20 0.48
PRKAB2 O43741 1/20 0.47

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
SCHEMBL3762828 0.89 RHOC (0.48) HRH3MEN1TSHRKMT2AL3MBTL3
SCHEMBL3774012 0.87 L3MBTL1 (0.61) HRH3MEN1KMT2AL3MBTL3L3MBTL1
SCHEMBL3773869 0.87 POLB (0.57) HRH3MEN1HPGDKMT2AL3MBTL3
SCHEMBL3773835 0.86 ME2 (0.55) HRH3MEN1KMT2AKDM4EALDH1A1
SCHEMBL3767613 0.86 ALDH1A1 (0.57) HRH3MEN1KMT2AL3MBTL1KDM4E
SCHEMBL3769040 0.86 KDM4E (0.67) HRH3MEN1KMT2AL3MBTL3L3MBTL1
SCHEMBL3774758 0.85 HRH3 (0.63) HRH3KMT2AL3MBTL3L3MBTL1KDM4E
SCHEMBL3766156 0.85 USP2 (0.62) HRH3L3MBTL3L3MBTL1KDM4EPOLB
SCHEMBL3770368 0.84 KDM4E (0.67) HRH3MEN1KMT2AL3MBTL3L3MBTL1
SCHEMBL3763137 0.84 ME2 (0.55) HRH3MEN1KMT2AKDM4EALDH1A1

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 5 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-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 HRH3 2/4885MEN1 3270/4885HPGD 377/4885

“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.