SCHEMBL3768258

SCHEMBL3768258

COc1ccccc1-c1cnc(N2CCN(CC(=O)N3CCN(C4CCC4)CC3)CC2)cn1

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.46
TDP1 Q9NUW8 2/20 0.46
ALDH1A1 P00352 2/20 0.46
HRH3 Q9Y5N1 8/20 0.46
POLB P06746 1/20 0.44
ATM Q13315 1/20 0.43
RAB9A P51151 1/20 0.42
KDM2B Q8NHM5 1/20 0.42

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
SCHEMBL3774132 0.92 HRH3 (0.42) KDM4ETDP1ALDH1A1HRH3POLB
SCHEMBL3774001 0.90 HRH3 (0.47) KDM4ETDP1ALDH1A1HRH3POLB
SCHEMBL3769760 0.90 CCNT1 (0.46) HRH3
SCHEMBL3776319 0.90 KDM4E (0.45) KDM4ETDP1ALDH1A1HRH3POLB
SCHEMBL3779351 0.89 HRH3 (0.48) KDM4ETDP1ALDH1A1HRH3POLB
SCHEMBL3769122 0.89 RAB9A (0.44) KDM4ETDP1ALDH1A1HRH3POLB
SCHEMBL3769983 0.89 HRH3 (0.50) KDM4EALDH1A1HRH3RAB9A
SCHEMBL3770414 0.88 F10 (0.42) KDM4ETDP1ALDH1A1HRH3POLB
SCHEMBL3773756 0.87 PANK3 (0.41) KDM4ETDP1ALDH1A1HRH3POLB
SCHEMBL3774737 0.87 HRH3 (0.50) KDM4ETDP1ALDH1A1HRH3POLB

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 KDM4E 534/4885TDP1 4483/4885ALDH1A1 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.