SCHEMBL3767747

SCHEMBL3767747

CC(C)N1CCN(C(=O)CN2CCN(c3ccc(F)c(C(F)(F)F)c3)CC2)CC1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.47
PKM P14618 2/20 0.47
MAPT P10636 5/20 0.46
ALDH1A1 P00352 4/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
TSHR P16473 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
GFER P55789 1/20 0.46
LMNA P02545 3/20 0.45
GAA P10253 1/20 0.45
NOTUM Q6P988 1/20 0.44
ACACB O00763 1/20 0.42
CCR1 P32246 6/20 0.41
KDM4E B2RXH2 1/20 0.41
TP53 P04637 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
SCHEMBL3765080 0.91 NPSR1 (0.44) NPSR1PKMMAPTALDH1A1MEN1
SCHEMBL3766290 0.88 MAPT (0.52) NPSR1PKMMAPTALDH1A1MEN1
SCHEMBL3767801 0.83 ME2 (0.57) NPSR1PKMMAPTALDH1A1MEN1
SCHEMBL3771806 0.82 ALDH1A1 (0.58) NPSR1PKMMAPTALDH1A1MEN1
SCHEMBL3774554 0.82 POLB (0.61) NPSR1MAPTALDH1A1MEN1KMT2A
SCHEMBL3766241 0.81 NOTUM (0.47) NPSR1MAPTALDH1A1MEN1KMT2A
SCHEMBL3768285 0.81 NOTUM (0.47) NPSR1MAPTALDH1A1MEN1KMT2A
SCHEMBL3767483 0.81 NOTUM (0.47) NPSR1MAPTALDH1A1MEN1KMT2A
SCHEMBL3762728 0.80 MAPT (0.56) NPSR1PKMMAPTALDH1A1MEN1
SCHEMBL3773777 0.80 ALDH1A1 (0.52) NPSR1PKMMAPTALDH1A1MEN1

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 5 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-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 NPSR1 357/4885PKM 219/4885MAPT 1475/4885

“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.