SCHEMBL3779255

SCHEMBL3779255

O=C(CN1CCN(c2ccc(-c3ccc(Cl)c(Cl)c3)cc2)CC1)N1CCN(C2CCC2)CC1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GFER P55789 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
ALDH1A1 P00352 2/20 0.48
MAPT P10636 2/20 0.48
MEN1 O00255 1/20 0.47
TSHR P16473 1/20 0.47
KMT2A Q03164 1/20 0.47
MAPK1 P28482 9/20 0.47
HRH3 Q9Y5N1 3/20 0.47
L3MBTL1 Q9Y468 1/20 0.44
RAB9A P51151 1/20 0.44

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
SCHEMBL3773428 0.91 SMN1; SMN2 (0.54) GFERSMN1; SMN2ALDH1A1MAPTMEN1
SCHEMBL3773986 0.91 GFER (0.50) GFERSMN1; SMN2ALDH1A1MAPTMEN1
SCHEMBL3773880 0.91 GFER (0.53) GFERSMN1; SMN2ALDH1A1MAPTMEN1
SCHEMBL3774550 0.89 GFER (0.67) GFERSMN1; SMN2ALDH1A1MAPTMEN1
SCHEMBL3761217 0.89 SMN1; SMN2 (0.54) GFERSMN1; SMN2ALDH1A1MAPTMEN1
SCHEMBL3774703 0.88 GFER (0.57) GFERSMN1; SMN2ALDH1A1MAPTMEN1
SCHEMBL3771181 0.88 MAPT (0.49) GFERSMN1; SMN2ALDH1A1MAPTMEN1
SCHEMBL3774022 0.88 SMN1; SMN2 (0.53) GFERSMN1; SMN2ALDH1A1MAPTMEN1
SCHEMBL3771074 0.88 KMT2A (0.59) GFERSMN1; SMN2ALDH1A1MAPTMEN1
SCHEMBL3779316 0.87 GFER (0.56) GFERSMN1; SMN2ALDH1A1MAPTMEN1

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 GFER 3130/4885SMN1; SMN2 4282/4885ALDH1A1 1210/4885

“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.