SCHEMBL3774013

SCHEMBL3774013

CC(=O)c1ccc(N2CCN(CC(=O)N3CCN(C4CCC4)CC3)CC2)nc1

nearest known ligand 0.66

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 13/20 0.66
SMN1; SMN2 Q16637 2/20 0.43
PPARG P37231 1/20 0.43
PPARA Q07869 1/20 0.43
IDE P14735 1/20 0.43
MAPT P10636 2/20 0.43
ADRA1A P35348 3/20 0.42
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL3768152 0.98 HRH3 (0.63) HRH3SMN1; SMN2PPARGPPARAIDE
SCHEMBL3767435 0.89 HRH3 (0.68) HRH3KMT2A
SCHEMBL3766163 0.89 HRH3 (0.53) HRH3
SCHEMBL3773373 0.89 KDM4E (0.52) HRH3ADRA1AALDH1A1
SCHEMBL3765811 0.88 KDM4E (0.54) HRH3ADRA1AALDH1A1
SCHEMBL13005941 0.88 KDM4E (0.54) HRH3ADRA1AALDH1A1
SCHEMBL3768287 0.87 HRH3 (0.54) HRH3
SCHEMBL3773296 0.87 HRH3 (0.52) HRH3SMN1; SMN2MAPTALDH1A1
SCHEMBL3767753 0.86 HPGDS (0.53) HRH3ALDH1A1KMT2A
SCHEMBL3776088 0.86 ALDH1A1 (0.48) HRH3SMN1; SMN2MAPTADRA1AMEN1

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 HRH3 2/4885SMN1; SMN2 4282/4885PPARG 451/4885

“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.