SCHEMBL3765873

SCHEMBL3765873

CCN1CCN(C(=O)CN2CCN(c3ccc(OC)c(OC)c3)CC2)CC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GFER P55789 1/20 0.55
ALDH1A1 P00352 3/20 0.54
MAPT P10636 2/20 0.54
CYP1A2 P05177 1/20 0.54
CYP3A4 P08684 1/20 0.54
CYP2D6 P10635 1/20 0.54
CYP2C19 P33261 1/20 0.54
POLB P06746 1/20 0.54
TDP1 Q9NUW8 2/20 0.53
LMNA P02545 2/20 0.52
GAA P10253 2/20 0.52
HTT P42858 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
ALOX15 P16050 1/20 0.52
HSD17B10 Q99714 1/20 0.52
KMT2A Q03164 2/20 0.51
CCR1 P32246 4/20 0.51
ACHE P22303 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.50
KDM4E B2RXH2 1/20 0.49

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
SCHEMBL3771135 0.90 CCR1 (0.51) GFERALDH1A1MAPTPOLBTDP1
SCHEMBL3765826 0.88 LMNA (0.53) GFERALDH1A1MAPTCYP1A2CYP3A4
SCHEMBL3771993 0.87 LMNA (0.54) GFERALDH1A1MAPTCYP1A2CYP3A4
SCHEMBL5240099 0.85 HTR7 (0.58) GFERALDH1A1MAPTCYP1A2CYP3A4
SCHEMBL3765294 0.84 ALDH1A1 (0.51) GFERALDH1A1MAPTCYP1A2CYP3A4
SCHEMBL3772093 0.84 CTSB (0.52) GFERALDH1A1MAPTCYP1A2CYP3A4
SCHEMBL3776150 0.84 LMNA (0.67) GFERALDH1A1MAPTTDP1LMNA
SCHEMBL3779384 0.83 CTSB (0.51) GFERALDH1A1MAPTCYP1A2CYP3A4
SCHEMBL4395782 0.82 MAPT (0.60) GFERALDH1A1MAPTCYP1A2CYP3A4
SCHEMBL3057651 0.80 CCR1 (0.64) CYP2C19CCR1

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 GFER 3130/4885ALDH1A1 1210/4885MAPT 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.