SCHEMBL3767435

SCHEMBL3767435

COC(=O)c1ccc(N2CCN(CC(=O)N3CCN(C4CCC4)CC3)CC2)nc1

nearest known ligand 0.68

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 15/20 0.68
NPC1 O15118 1/20 0.52
RAB9A P51151 1/20 0.52
KMT2A Q03164 1/20 0.52
P2RY12 Q9H244 1/20 0.44
CRBN Q96SW2 2/20 0.44
OGA O60502 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
SCHEMBL3774013 0.89 HRH3 (0.66) HRH3KMT2A
SCHEMBL3768287 0.89 HRH3 (0.54) HRH3
SCHEMBL3766163 0.88 HRH3 (0.53) HRH3
SCHEMBL9210914 0.88 RAB9A (0.60) HRH3NPC1RAB9AKMT2AP2RY12
SCHEMBL3768152 0.87 HRH3 (0.63) HRH3
SCHEMBL3773296 0.87 HRH3 (0.52) HRH3NPC1RAB9A
SCHEMBL9204223 0.86 HRH3 (0.73) HRH3NPC1RAB9AKMT2ACRBN
SCHEMBL3773373 0.86 KDM4E (0.52) HRH3
SCHEMBL3767753 0.85 HPGDS (0.53) HRH3KMT2A
SCHEMBL9210226 0.85 HRH3 (0.72) HRH3NPC1RAB9AKMT2ACRBN

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 2/4885NPC1 3462/4885RAB9A 3824/4885

“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.