SCHEMBL3772005

SCHEMBL3772005

O=C(CN1CCN(c2ccc(-c3ccc(F)c(F)c3)cc2)CC1)N1CCN(C2CCC2)CC1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GFER P55789 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
MAPT P10636 5/20 0.48
ALDH1A1 P00352 3/20 0.48
HRH3 Q9Y5N1 1/20 0.47
KDM4E B2RXH2 1/20 0.45
MEN1 O00255 4/20 0.45
KMT2A Q03164 4/20 0.45
TSHR P16473 2/20 0.45
LMNA P02545 3/20 0.45
MAPK1 P28482 2/20 0.45
ALOX15 P16050 1/20 0.44
NPC1 O15118 1/20 0.44
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43

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
SCHEMBL3773880 0.91 GFER (0.53) GFERSMN1; SMN2MAPTALDH1A1HRH3
SCHEMBL3773986 0.91 GFER (0.50) GFERSMN1; SMN2MAPTALDH1A1HRH3
SCHEMBL3768088 0.91 GFER (0.47) GFERSMN1; SMN2MAPTALDH1A1HRH3
SCHEMBL3773892 0.91 LMNA (0.47) GFERSMN1; SMN2MAPTALDH1A1HRH3
SCHEMBL3773726 0.89 MAPT (0.56) GFERSMN1; SMN2MAPTALDH1A1HRH3
SCHEMBL3772009 0.88 MAPT (0.49) GFERSMN1; SMN2MAPTALDH1A1HRH3
SCHEMBL3774486 0.88 ALDH1A1 (0.46) GFERSMN1; SMN2MAPTALDH1A1HRH3
SCHEMBL3777299 0.88 MAPK1 (0.55) GFERSMN1; SMN2MAPTALDH1A1HRH3
SCHEMBL3774550 0.87 GFER (0.67) GFERSMN1; SMN2MAPTALDH1A1HRH3
SCHEMBL3775819 0.87 MAPT (0.48) GFERSMN1; SMN2MAPTALDH1A1HRH3

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 4282/4885MAPT 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.