SCHEMBL3771992

SCHEMBL3771992

CC(=O)c1ccc(N2CCN(CC(=O)N3CCN(CC(C)C)CC3)CC2)cc1

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.57
ALDH1A1 P00352 4/20 0.57
KMT2A Q03164 3/20 0.56
GFER P55789 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
MAPK1 P28482 3/20 0.52
PKM P14618 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
MEN1 O00255 1/20 0.50
DPP4 P27487 1/20 0.50
ABCB1 P08183 2/20 0.49
HTR7 P34969 1/20 0.49
LMNA P02545 1/20 0.48

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
SCHEMBL1482011 0.89 KMT2A (0.67) MAPTALDH1A1KMT2ASMN1; SMN2MAPK1
SCHEMBL3767673 0.88 ALDH1A1 (0.57) MAPTALDH1A1KMT2AGFERSMN1; SMN2
SCHEMBL3769361 0.84 ALDH1A1 (0.53) MAPTALDH1A1KMT2AGFERSMN1; SMN2
SCHEMBL3763147 0.82 PKM (0.65) MAPTALDH1A1KMT2AMAPK1PKM
SCHEMBL3767465 0.80 MEN1 (0.58) MAPTALDH1A1KMT2AGFERSMN1; SMN2
SCHEMBL3767816 0.80 MEN1 (0.58) MAPTALDH1A1KMT2AGFERSMN1; SMN2
SCHEMBL3776934 0.79 MEN1 (0.57) MAPTALDH1A1KMT2AGFERSMN1; SMN2
SCHEMBL24725714 0.77 KMT2A (0.51) MAPTALDH1A1KMT2AGFERSMN1; SMN2
SCHEMBL6550343 0.77 CHRNA7 (0.54) ALDH1A1KMT2AGFERMEN1ABCB1
SCHEMBL3769905 0.77 MEN1 (0.55) MAPTALDH1A1KMT2AGFERSMN1; SMN2

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 MAPT 1475/4885ALDH1A1 1210/4885KMT2A 242/4885

“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.