SCHEMBL3776002

SCHEMBL3776002

O=C(CN1CCN(c2cnc(-c3ccc(Cl)c(Cl)c3)cn2)CC1)N1CCN(C2CCC2)CC1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
ALDH1A1 P00352 1/20 0.43
MAPT P10636 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
HRH3 Q9Y5N1 9/20 0.41
GRIN2B Q13224 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
PANK3 Q9H999 1/20 0.38
TSHR P16473 1/20 0.38
GFER P55789 1/20 0.38
MAPK1 P28482 1/20 0.38
MGLL Q99685 1/20 0.37
KDM2B Q8NHM5 1/20 0.37
DPP4 P27487 1/20 0.37
CYP11B1 P15538 1/20 0.37
CYP11B2 P19099 1/20 0.37

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
SCHEMBL3779465 0.92 MEN1 (0.43) MEN1KMT2ASMN1; SMN2ALDH1A1MAPT
SCHEMBL3765872 0.92 MEN1 (0.43) MEN1KMT2ASMN1; SMN2ALDH1A1MAPT
SCHEMBL3775676 0.90 MAPT (0.47) MEN1KMT2ASMN1; SMN2ALDH1A1MAPT
SCHEMBL3774286 0.90 HRH3 (0.47) MEN1KMT2ASMN1; SMN2ALDH1A1MAPT
SCHEMBL3767426 0.88 KMT2A (0.48) MEN1KMT2ASMN1; SMN2ALDH1A1MAPT
SCHEMBL3774094 0.88 MEN1 (0.42) MEN1KMT2ASMN1; SMN2ALDH1A1MAPT
SCHEMBL3763107 0.87 HRH3 (0.43) MEN1KMT2ASMN1; SMN2ALDH1A1MAPT
SCHEMBL3774800 0.87 SMO (0.41) MEN1KMT2ASMN1; SMN2ALDH1A1MAPT
SCHEMBL3761039 0.87 PANK3 (0.48) HRH3PANK3KDM2B
SCHEMBL3766212 0.86 DPP4 (0.42) MEN1KMT2ASMN1; SMN2ALDH1A1MAPT

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 MEN1 3270/4885KMT2A 242/4885SMN1; SMN2 4282/4885

“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.