SCHEMBL3770890

SCHEMBL3770890

O=C(CN1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1)N1CCN(C2CCC2)CC1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 9/20 0.50
CHRM2 P08172 1/20 0.48
L3MBTL1 Q9Y468 2/20 0.47
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47
MEN1 O00255 1/20 0.45
TSHR P16473 1/20 0.45
KMT2A Q03164 1/20 0.45
P2RX7 Q99572 1/20 0.45
GFER P55789 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
EPHX2 P34913 1/20 0.44
F10 P00742 1/20 0.44

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
SCHEMBL3774266 0.91 TSHR (0.52) HRH3L3MBTL1KDM4EALDH1A1MEN1
SCHEMBL3768865 0.89 L3MBTL1 (0.50) HRH3L3MBTL1KDM4EALDH1A1MEN1
SCHEMBL3780458 0.87 HRH3 (0.48) HRH3L3MBTL1KDM4EALDH1A1MEN1
SCHEMBL3773691 0.86 KDM4E (0.51) HRH3KDM4EALDH1A1TSHRF10
SCHEMBL3773907 0.86 KDM2B (0.53) CHRM2L3MBTL1KDM4EALDH1A1MEN1
SCHEMBL3773594 0.84 CCR3 (0.52) HRH3KDM4EALDH1A1MEN1TSHR
SCHEMBL3780478 0.84 KDM4E (0.51) HRH3KDM4EALDH1A1TSHRF10
SCHEMBL3774758 0.84 HRH3 (0.63) HRH3L3MBTL1KDM4EKMT2AGFER
SCHEMBL3770185 0.82 HRH3 (0.47) HRH3L3MBTL1KDM4EALDH1A1P2RX7
SCHEMBL3767284 0.82 KDM4E (0.70) HRH3L3MBTL1KDM4EALDH1A1MEN1

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 HRH3 2/4885CHRM2 158/4885L3MBTL1 1468/4885

“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.