SCHEMBL3767597

SCHEMBL3767597

O=C(CN1CCN(c2ccccc2Cl)CC1)N1CCN(C2CCC2)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 1/20 0.52
ALDH1A1 P00352 6/20 0.51
MAPT P10636 3/20 0.51
MEN1 O00255 4/20 0.51
KMT2A Q03164 4/20 0.51
TSHR P16473 2/20 0.51
TP53 P04637 1/20 0.51
ALOX15 P16050 1/20 0.51
MAPK1 P28482 1/20 0.51
HSD17B10 Q99714 1/20 0.51
KDM4E B2RXH2 5/20 0.50
PARP1 P09874 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
GRM5 P41594 1/20 0.48
POLB P06746 1/20 0.47
HRH3 Q9Y5N1 1/20 0.47
LMNA P02545 1/20 0.47
GFER P55789 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
KDM2B Q8NHM5 1/20 0.46

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
SCHEMBL13004961 0.98 MEN1 (0.54) HTR7ALDH1A1MAPTMEN1KMT2A
SCHEMBL3769112 0.96 MEN1 (0.55) HTR7ALDH1A1MAPTMEN1KMT2A
SCHEMBL3769002 0.92 DRD2 (0.50) HTR7MEN1KMT2ATSHR
SCHEMBL3772593 0.90 DRD2 (0.51) HTR7ALDH1A1MEN1KMT2ATSHR
SCHEMBL3768876 0.87 KMT2A (0.56) ALDH1A1MAPTMEN1KMT2ATSHR
SCHEMBL3767997 0.87 TSHR (0.53) ALDH1A1MAPTMEN1KMT2ATSHR
SCHEMBL13004958 0.85 KMT2A (0.56) ALDH1A1MAPTMEN1KMT2ATSHR
SCHEMBL3773907 0.85 KDM2B (0.53) ALDH1A1MEN1KMT2AKDM4EPARP1
SCHEMBL3763152 0.85 KDM4E (0.55) ALDH1A1MEN1KMT2AMAPK1KDM4E
SCHEMBL3774214 0.85 TSHR (0.56) ALDH1A1MAPTMEN1KMT2ATSHR

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 HTR7 292/4885ALDH1A1 1210/4885MAPT 1475/4885

“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.