SCHEMBL3775693

SCHEMBL3775693

CC(=O)c1ccc(N2CCN(CC(=O)N3CCN(C4CCC4)CC3)CC2)c(F)c1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.57
MAPT P10636 6/20 0.57
LMNA P02545 2/20 0.57
KMT2A Q03164 2/20 0.57
L3MBTL1 Q9Y468 2/20 0.54
SMN1; SMN2 Q16637 4/20 0.54
POLB P06746 2/20 0.53
GAA P10253 1/20 0.53
HPGD P15428 2/20 0.52
PARP1 P09874 1/20 0.49
MEN1 O00255 1/20 0.48
NPC1 O15118 1/20 0.48
HTT P42858 1/20 0.48
RAB9A P51151 1/20 0.48
SLC6A5 Q9Y345 3/20 0.46
SLC6A9 P48067 2/20 0.46

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
SCHEMBL3770782 0.89 HRH3 (0.47) ALDH1A1MAPTLMNAKMT2ASMN1; SMN2
SCHEMBL5550991 0.87 ALDH1A1 (0.42) ALDH1A1MAPTLMNAKMT2AL3MBTL1
SCHEMBL3773931 0.86 KDM4E (0.51) ALDH1A1MAPTSMN1; SMN2POLBGAA
SCHEMBL3773704 0.84 GRM5 (0.48) ALDH1A1KMT2APARP1MEN1HTT
SCHEMBL3769377 0.84 SLC6A9 (0.54) ALDH1A1LMNAKMT2AMEN1HTT
SCHEMBL3767816 0.83 MEN1 (0.58) ALDH1A1MAPTLMNAKMT2ASMN1; SMN2
SCHEMBL3768876 0.83 KMT2A (0.56) ALDH1A1MAPTLMNAKMT2APARP1
SCHEMBL13004958 0.81 KMT2A (0.56) ALDH1A1MAPTLMNAKMT2AMEN1
SCHEMBL3767465 0.81 MEN1 (0.58) ALDH1A1MAPTLMNAKMT2ASMN1; SMN2
SCHEMBL3769905 0.80 MEN1 (0.55) ALDH1A1MAPTLMNAKMT2ASMN1; 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 ALDH1A1 1210/4885MAPT 1475/4885LMNA 2902/4885

“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.