SCHEMBL3765245

SCHEMBL3765245

CCC(C)N1CCN(C(=O)CN2CCN(c3ccc(Cl)c(Cl)c3)CC2)CC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.55
MAPT P10636 6/20 0.54
MAPK1 P28482 1/20 0.54
HTT P42858 1/20 0.54
SMN1; SMN2 Q16637 4/20 0.50
GFER P55789 1/20 0.50
MEN1 O00255 1/20 0.50
TSHR P16473 1/20 0.50
KMT2A Q03164 1/20 0.50
TP53 P04637 2/20 0.48
PANK3 Q9H999 1/20 0.48
PKM P14618 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
ALDH1A1 P00352 1/20 0.48
ADAMTS5 Q9UNA0 2/20 0.47
CCR1 P32246 3/20 0.46
LMNA P02545 1/20 0.46
GAA P10253 1/20 0.46
MMP2 P08253 1/20 0.46
GRIN1 Q05586 1/20 0.45

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
SCHEMBL3767522 0.91 CCR1 (0.52) RAB9AMAPTMAPK1HTTSMN1; SMN2
SCHEMBL3763190 0.90 RAB9A (0.58) RAB9AMAPTMAPK1HTTSMN1; SMN2
SCHEMBL3772008 0.89 CCR1 (0.59) CCR1
SCHEMBL3762702 0.88 MAPT (0.49) MAPTSMN1; SMN2GFERMEN1TSHR
SCHEMBL3767262 0.87 SMN1; SMN2 (0.67) MAPTSMN1; SMN2GFERMEN1TSHR
SCHEMBL3780583 0.87 MEN1 (0.69) MAPTMAPK1SMN1; SMN2MEN1TSHR
SCHEMBL3765386 0.86 SMN1; SMN2 (0.51) MAPTSMN1; SMN2GFERMEN1TSHR
SCHEMBL3777260 0.85 NPSR1 (0.49) MAPTHTTSMN1; SMN2GFERMEN1
SCHEMBL3768910 0.84 MAPT (0.56) MAPTHTTSMN1; SMN2GFERKMT2A
SCHEMBL3765826 0.83 LMNA (0.53) MAPTMAPK1HTTSMN1; SMN2GFER

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 RAB9A 3824/4885MAPT 1475/4885MAPK1 3915/4885

“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.