SCHEMBL3774022

SCHEMBL3774022

O=C(CN1CCN(c2ccc(Cl)c(Cl)c2)CC1)N1CCN(C2CCCCC2)CC1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.53
GFER P55789 1/20 0.53
MEN1 O00255 1/20 0.53
TSHR P16473 1/20 0.53
KMT2A Q03164 1/20 0.53
RAB9A P51151 1/20 0.52
HRH3 Q9Y5N1 7/20 0.51
ADAMTS5 Q9UNA0 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
MAPT P10636 4/20 0.48
HTT P42858 2/20 0.48
MAPK1 P28482 1/20 0.48
ALDH1A1 P00352 5/20 0.48
KDM4E B2RXH2 2/20 0.45
LMNA P02545 1/20 0.45

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
SCHEMBL3761217 0.99 SMN1; SMN2 (0.54) SMN1; SMN2GFERMEN1TSHRKMT2A
SCHEMBL3773428 0.97 SMN1; SMN2 (0.54) SMN1; SMN2GFERMEN1TSHRKMT2A
SCHEMBL3769798 0.90 CCR1 (0.51) SMN1; SMN2GFERMEN1TSHRKMT2A
SCHEMBL3769015 0.89 CCR1 (0.52) SMN1; SMN2GFERMEN1TSHRKMT2A
SCHEMBL3779255 0.88 GFER (0.53) SMN1; SMN2GFERMEN1TSHRKMT2A
SCHEMBL3773770 0.88 NOTUM (0.49) SMN1; SMN2GFERMEN1TSHRKMT2A
SCHEMBL3762797 0.88 CCR1 (0.57)
SCHEMBL3779438 0.87 SMN1; SMN2 (0.70) SMN1; SMN2GFERMEN1TSHRKMT2A
SCHEMBL3765130 0.87 CCR1 (0.52) SMN1; SMN2GFERMEN1TSHRKMT2A
SCHEMBL3773736 0.87 MEN1 (0.72) SMN1; SMN2GFERMEN1TSHRKMT2A

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 SMN1; SMN2 4282/4885GFER 3130/4885MEN1 3270/4885

“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.