SCHEMBL3768865

SCHEMBL3768865

Nc1cc(Cl)ccc1C(=O)N1CCN(CC(=O)N2CCN(C3CCC3)CC2)CC1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.50
L3MBTL3 Q96JM7 1/20 0.50
HRH3 Q9Y5N1 9/20 0.48
PKM P14618 1/20 0.47
RAB9A P51151 1/20 0.47
KDM4E B2RXH2 2/20 0.45
ALDH1A1 P00352 2/20 0.45
MEN1 O00255 1/20 0.43
TSHR P16473 1/20 0.43
KMT2A Q03164 1/20 0.43
GFER P55789 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
TDP1 Q9NUW8 1/20 0.42
SCN5A Q14524 1/20 0.41
SCN2A Q99250 1/20 0.41
SCN10A Q9Y5Y9 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
SCHEMBL3780458 0.92 HRH3 (0.48) L3MBTL1L3MBTL3HRH3KDM4EALDH1A1
SCHEMBL3770890 0.89 HRH3 (0.50) L3MBTL1HRH3KDM4EALDH1A1MEN1
SCHEMBL3774266 0.87 TSHR (0.52) L3MBTL1HRH3KDM4EALDH1A1MEN1
SCHEMBL3773691 0.85 KDM4E (0.51) HRH3KDM4EALDH1A1TSHR
SCHEMBL3770797 0.84 L3MBTL3 (0.50) L3MBTL1L3MBTL3HRH3KDM4EALDH1A1
SCHEMBL3780478 0.82 KDM4E (0.51) HRH3RAB9AKDM4EALDH1A1TSHR
SCHEMBL3774758 0.82 HRH3 (0.63) L3MBTL1L3MBTL3HRH3KDM4EKMT2A
SCHEMBL3768371 0.81 ALDH1A1 (0.45) L3MBTL1L3MBTL3HRH3RAB9AKDM4E
SCHEMBL3767284 0.81 KDM4E (0.70) L3MBTL1L3MBTL3HRH3KDM4EALDH1A1
SCHEMBL3773907 0.80 KDM2B (0.53) L3MBTL1L3MBTL3RAB9AKDM4EALDH1A1

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 L3MBTL1 1468/4885L3MBTL3 1357/4885HRH3 2/4885

“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.