SCHEMBL3779438

SCHEMBL3779438

O=C(CN1CCN(c2ccc(Cl)cc2)CC1)N1CCN(C2CCCCC2)CC1

nearest known ligand 0.70

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.70
GFER P55789 1/20 0.70
HRH3 Q9Y5N1 8/20 0.58
ALDH1A1 P00352 3/20 0.54
MAPT P10636 2/20 0.54
KMT2A Q03164 2/20 0.53
MEN1 O00255 1/20 0.53
TSHR P16473 1/20 0.53
HTR1A P08908 2/20 0.52
HTR7 P34969 2/20 0.52
AKR1C3 P42330 2/20 0.51
LMNA P02545 1/20 0.51
HPGD P15428 1/20 0.51
HTT P42858 1/20 0.51
ME2 P23368 1/20 0.51
ME1 P48163 1/20 0.51
ME3 Q16798 1/20 0.51

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
SCHEMBL3773552 0.99 GFER (0.72) SMN1; SMN2GFERHRH3ALDH1A1MAPT
SCHEMBL3767730 0.96 GFER (0.72) SMN1; SMN2GFERHRH3ALDH1A1MAPT
SCHEMBL3774550 0.93 GFER (0.67) SMN1; SMN2GFERHRH3ALDH1A1MAPT
SCHEMBL3773709 0.89 GFER (0.54) SMN1; SMN2GFERHRH3ALDH1A1MAPT
SCHEMBL3776110 0.88 MEN1 (0.61) SMN1; SMN2GFERALDH1A1MAPTKMT2A
SCHEMBL3780648 0.88 MAPT (0.54) SMN1; SMN2GFERHRH3ALDH1A1MAPT
SCHEMBL3767518 0.88 LMNA (0.57) SMN1; SMN2GFERHRH3ALDH1A1MAPT
SCHEMBL3767578 0.88 ALDH1A1 (0.72) SMN1; SMN2GFERHRH3ALDH1A1MAPT
SCHEMBL3766138 0.88 SMN1; SMN2 (0.55) SMN1; SMN2GFERHRH3ALDH1A1MAPT
SCHEMBL3773736 0.87 MEN1 (0.72) SMN1; SMN2GFERALDH1A1MAPTKMT2A

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 SMN1; SMN2 4282/4885GFER 3130/4885HRH3 2/4885

“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.