SCHEMBL4378680

SCHEMBL4378680

C=CCN1CCN(C(=O)CCc2cccnc2)CC1

nearest known ligand 0.62

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.62
RAB9A P51151 2/20 0.62
KDM4E B2RXH2 2/20 0.51
ALDH1A1 P00352 2/20 0.51
C3AR1 Q16581 10/20 0.50
TSHR P16473 1/20 0.47
MAPT P10636 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46

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
SCHEMBL14218061 0.84 MEN1 (0.56) KDM4EALDH1A1C3AR1TSHRMAPT
SCHEMBL10305181 0.82 NPC1 (0.67) NPC1RAB9AC3AR1
SCHEMBL4176971 0.81 TSHR (0.64) NPC1KDM4EALDH1A1C3AR1TSHR
SCHEMBL1312749 0.81 CHRM1 (0.57) NPC1RAB9AC3AR1MEN1KMT2A
SCHEMBL20353683 0.81 C3AR1 (0.55) NPC1KDM4EALDH1A1C3AR1MEN1
SCHEMBL1312788 0.78 C3AR1 (0.55) NPC1KDM4EALDH1A1C3AR1MEN1
SCHEMBL4380598 0.78 ME2 (0.57) ALDH1A1C3AR1MAPTMEN1KMT2A
SCHEMBL18705025 0.78 C3AR1 (0.54) C3AR1MEN1KMT2A
SCHEMBL4382207 0.76 C3AR1 (0.61) KDM4EALDH1A1C3AR1TSHRKMT2A
SCHEMBL4377878 0.75 SIGMAR1 (0.61) NPC1RAB9AKDM4EALDH1A1MAPT

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1421071-B1 SUBSTITUTED PIPERAZINE AND DIAZEPANE DERIVAIVES AS HISTAMINE H3 RECEPTOR MODULATORS HIGH POINT PHARMACEUTICALS LLC (US) 2009-11-18 EP claimed
EP-1421071-B1 SUBSTITUTED PIPERAZINE AND DIAZEPANE DERIVAIVES AS HISTAMINE H3 RECEPTOR MODULATORS HIGH POINT PHARMACEUTICALS LLC (US) 2009-11-18 EP disclosed
EP-1421071-B1 SUBSTITUTED PIPERAZINE AND DIAZEPANE DERIVAIVES AS HISTAMINE H3 RECEPTOR MODULATORS HIGH POINT PHARMACEUTICALS LLC (US) 2009-11-18 EP disclosed
US-20080113968-A1 Substituted piperazines and diazepanes NOVO NORDISK A/S (DK) 2008-05-15 US disclosed
US-20080113968-A1 Substituted piperazines and diazepanes NOVO NORDISK A/S (DK) 2008-05-15 US disclosed
US-20080113968-A1 Substituted piperazines and diazepanes NOVO NORDISK A/S (DK) 2008-05-15 US disclosed
US-7208497-B2 Substituted piperazines and diazepanes NOVO NORDISK A/S (DK) 2007-04-24 US disclosed
US-7208497-B2 Substituted piperazines and diazepanes NOVO NORDISK A/S (DK) 2007-04-24 US disclosed
US-7208497-B2 Substituted piperazines and diazepanes NOVO NORDISK A/S (DK) 2007-04-24 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-20080113968-A1 Substituted piperazines and diazepanes HRH3, HRH4, HRH1 NPC1 1743/4885RAB9A 3209/4885KDM4E 1567/4885

“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.