SCHEMBL3774007

SCHEMBL3774007

O=C(CN1CCN(c2ccc(-c3cccc(Cl)c3Cl)nn2)CC1)N1CCN(C2CCC2)CC1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 10/20 0.54
CNR1 P21554 3/20 0.44
HRH3 Q9Y5N1 3/20 0.40
MEN1 O00255 1/20 0.40
TSHR P16473 1/20 0.40
KMT2A Q03164 1/20 0.40
PARP1 P09874 1/20 0.38
PANK3 Q9H999 1/20 0.38
ALDH1A1 P00352 2/20 0.38
MAPT P10636 1/20 0.38
KDM4E B2RXH2 1/20 0.38
GFER P55789 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
KDM2B Q8NHM5 1/20 0.38

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
SCHEMBL3770763 0.86 CNR2 (0.50) CNR2CNR1HRH3MEN1TSHR
SCHEMBL3773942 0.85 CNR2 (0.49) CNR2HRH3MEN1TSHRKMT2A
SCHEMBL3779385 0.85 MEN1 (0.43) CNR2CNR1HRH3MEN1TSHR
SCHEMBL3767828 0.85 HRH3 (0.40) HRH3MEN1KMT2APARP1PANK3
SCHEMBL3773946 0.85 IL4I1 (0.43) HRH3MEN1KMT2APARP1PANK3
SCHEMBL3774634 0.84 KMT2A (0.49) HRH3MEN1TSHRKMT2AALDH1A1
SCHEMBL3767918 0.83 HRH3 (0.47) HRH3MEN1TSHRKMT2APANK3
SCHEMBL3777144 0.83 HRH3 (0.42) HRH3TSHRPARP1PANK3ALDH1A1
SCHEMBL3768073 0.83 CNR2 (0.50) CNR2HRH3PARP1ALDH1A1MAPT
SCHEMBL3774737 0.83 HRH3 (0.50) CNR2HRH3MEN1TSHRKMT2A

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 CNR2 47/4885CNR1 76/4885HRH3 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.