SCHEMBL3765110

SCHEMBL3765110

O=C(CN1CCN(c2ccc3c(c2)OCO3)CC1)N1CCN(C2CCC2)CC1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.53
MEN1 O00255 3/20 0.53
ALDH1A1 P00352 7/20 0.48
MAPT P10636 6/20 0.48
KDM4E B2RXH2 3/20 0.48
MAPK1 P28482 1/20 0.48
HRH3 Q9Y5N1 1/20 0.47
GAA P10253 1/20 0.46
TSHR P16473 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
GFER P55789 1/20 0.46
LMNA P02545 2/20 0.45
CHRM2 P08172 1/20 0.44
CCR5 P51681 1/20 0.44
L3MBTL1 Q9Y468 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
SCHEMBL3773911 0.98 KMT2A (0.55) KMT2AMEN1ALDH1A1MAPTKDM4E
SCHEMBL3772160 0.92 KMT2A (0.49) KMT2AMEN1ALDH1A1MAPTKDM4E
SCHEMBL3762892 0.86 HRH3 (0.49) KMT2AMEN1ALDH1A1MAPTKDM4E
SCHEMBL3767740 0.85 ALDH1A1 (0.59) KMT2AMEN1ALDH1A1HRH3TSHR
SCHEMBL3773930 0.85 KMT2A (0.61) KMT2AMEN1ALDH1A1KDM4ETSHR
SCHEMBL3773428 0.81 SMN1; SMN2 (0.54) KMT2AMEN1ALDH1A1MAPTMAPK1
SCHEMBL3768204 0.81 MAPT (0.49) KMT2AMEN1ALDH1A1MAPTKDM4E
SCHEMBL3767733 0.81 KMT2A (0.45) KMT2AMEN1ALDH1A1MAPTKDM4E
SCHEMBL3767737 0.81 KDM4E (0.63) KMT2AMEN1ALDH1A1KDM4EMAPK1
SCHEMBL3767741 0.81 KDM4E (0.63) KMT2AMEN1ALDH1A1KDM4EMAPK1

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 6 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

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 KMT2A 242/4885MEN1 3270/4885ALDH1A1 1210/4885

“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.