SCHEMBL4382908

SCHEMBL4382908

C=CCN1CCN(C=CC(=O)c2ccc(F)c(C(F)(F)F)c2)CC1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 8/20 0.38
NPC1 O15118 3/20 0.38
USP2 O75604 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
MAPK1 P28482 1/20 0.38
OPRM1 P35372 3/20 0.36
OPRK1 P41145 2/20 0.36
NOTUM Q6P988 1/20 0.36
TTR P02766 1/20 0.36
TAS1R3 Q7RTX0 1/20 0.36
TAS1R1 Q7RTX1 1/20 0.36
TAS1R2 Q8TE23 1/20 0.36
VNN1 O95497 1/20 0.35
RAB9A P51151 2/20 0.35

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
SCHEMBL4383994 0.78 TAS1R3 (0.44) NPC1USP2ALDH1A1LMNAMAPT
SCHEMBL4379362 0.77 SLC2A1 (0.44) NPC1USP2ALDH1A1LMNAMAPT
SCHEMBL4382902 0.77 ALDH1A1 (0.44) NPC1USP2ALDH1A1LMNAMAPT
SCHEMBL2832627 0.76 ALDH1A1 (0.43) NPC1USP2ALDH1A1LMNAMAPT
SCHEMBL13636500 0.73 GPR183 (0.52) ALDH1A1LMNA
SCHEMBL4382910 0.73 GPR183 (0.52) ALDH1A1LMNA
SCHEMBL4377421 0.73 MAPT (0.46) OPRD1NPC1USP2ALDH1A1MAPT
SCHEMBL4377592 0.71 ALDH1A1 (0.47) OPRD1NPC1USP2ALDH1A1LMNA
SCHEMBL2645358 0.70 TAS1R3 (0.47) ALDH1A1MAPK1TAS1R3TAS1R1TAS1R2
SCHEMBL4375429 0.70 ALDH1A1 (0.53) NPC1ALDH1A1LMNAMAPTMAPK1

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 4 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
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

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 OPRD1 324/4885NPC1 1743/4885USP2 2350/4885

“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.