SCHEMBL3779385

SCHEMBL3779385

O=C(CN1CCN(c2ccc(-c3ccc(Cl)cc3Cl)nn2)CC1)N1CCN(C2CCC2)CC1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
HRH3 Q9Y5N1 9/20 0.42
CNR2 P34972 2/20 0.42
CNR1 P21554 1/20 0.42
TSHR P16473 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
GFER P55789 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
DPP4 P27487 1/20 0.41
SCD O00767 1/20 0.40
ALPL P05186 2/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39

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
SCHEMBL3773942 0.93 CNR2 (0.49) MEN1KMT2AHRH3CNR2TSHR
SCHEMBL3773905 0.87 HRH3 (0.45) MEN1KMT2AHRH3TSHRSMN1; SMN2
SCHEMBL3767918 0.87 HRH3 (0.47) MEN1KMT2AHRH3TSHRSMN1; SMN2
SCHEMBL3769368 0.86 DPP4 (0.42) MEN1KMT2AHRH3CNR2CNR1
SCHEMBL3770099 0.86 HRH3 (0.42) MEN1KMT2AHRH3TSHRSMN1; SMN2
SCHEMBL3774007 0.85 CNR2 (0.54) MEN1KMT2AHRH3CNR2CNR1
SCHEMBL3774634 0.85 KMT2A (0.49) MEN1KMT2AHRH3TSHRSMN1; SMN2
SCHEMBL3767885 0.84 HRH3 (0.43) MEN1KMT2AHRH3TSHRSMN1; SMN2
SCHEMBL3761224 0.84 PANK3 (0.42) MEN1KMT2AHRH3TSHRSMN1; SMN2
SCHEMBL3767969 0.84 CYP11B2 (0.44) HRH3ALDH1A1MAPT

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 MEN1 3270/4885KMT2A 242/4885HRH3 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.