SCHEMBL3773552

SCHEMBL3773552

O=C(CN1CCN(c2ccc(Cl)cc2)CC1)N1CCN(C2CCCC2)CC1

nearest known ligand 0.72

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GFER P55789 1/20 0.72
SMN1; SMN2 Q16637 1/20 0.72
HRH3 Q9Y5N1 8/20 0.58
ALDH1A1 P00352 2/20 0.56
MAPT P10636 2/20 0.56
KMT2A Q03164 2/20 0.54
MEN1 O00255 1/20 0.54
TSHR P16473 1/20 0.54
HTR7 P34969 3/20 0.53
HTR1A P08908 2/20 0.53
AKR1C3 P42330 1/20 0.52
ME2 P23368 1/20 0.52
ME1 P48163 1/20 0.52
ME3 Q16798 1/20 0.52

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
SCHEMBL3779438 0.99 SMN1; SMN2 (0.70) GFERSMN1; SMN2HRH3ALDH1A1MAPT
SCHEMBL3767730 0.98 GFER (0.72) GFERSMN1; SMN2HRH3ALDH1A1MAPT
SCHEMBL3774550 0.94 GFER (0.67) GFERSMN1; SMN2HRH3ALDH1A1MAPT
SCHEMBL3766138 0.89 SMN1; SMN2 (0.55) GFERSMN1; SMN2HRH3ALDH1A1MAPT
SCHEMBL13004959 0.88 MEN1 (0.62) GFERSMN1; SMN2ALDH1A1MAPTKMT2A
SCHEMBL3773709 0.88 GFER (0.54) GFERSMN1; SMN2HRH3ALDH1A1MAPT
SCHEMBL3763143 0.88 LMNA (0.58) GFERSMN1; SMN2HRH3ALDH1A1MAPT
SCHEMBL3766216 0.88 ALDH1A1 (0.74) GFERSMN1; SMN2HRH3ALDH1A1MAPT
SCHEMBL13004971 0.87 MEN1 (0.74) GFERSMN1; SMN2ALDH1A1MAPTKMT2A
SCHEMBL3761217 0.87 SMN1; SMN2 (0.54) GFERSMN1; SMN2HRH3ALDH1A1MAPT

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 3130/4885SMN1; SMN2 4282/4885HRH3 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.