SCHEMBL4382910

SCHEMBL4382910

C=CCN1CCN(C(=O)C=Cc2ccc(F)c(C(F)(F)F)c2)CC1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GPR183 P32249 10/20 0.52
ALDH1A1 P00352 2/20 0.44
LMNA P02545 1/20 0.44
TP53 P04637 1/20 0.44
ITGB2 P05107 1/20 0.44
ICAM1 P05362 1/20 0.44
ITGAL P20701 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
KDM4E B2RXH2 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
SCHEMBL13636500 1.00 GPR183 (0.52) GPR183ALDH1A1LMNATP53ITGB2
SCHEMBL14218005 0.86 TDP1 (0.60) GPR183ALDH1A1ITGB2ICAM1ITGAL
SCHEMBL14190937 0.78 ALDH1A1 (0.47) GPR183ALDH1A1LMNATP53ITGB2
SCHEMBL4383997 0.78 ALDH1A1 (0.47) GPR183ALDH1A1LMNATP53ITGB2
SCHEMBL4382905 0.77 ALDH1A1 (0.46) GPR183ALDH1A1LMNATP53ITGB2
SCHEMBL14190914 0.77 LMNA (0.49) ALDH1A1LMNATP53MEN1KMT2A
SCHEMBL14190922 0.77 ALDH1A1 (0.46) GPR183ALDH1A1LMNATP53ITGB2
SCHEMBL4384525 0.77 LMNA (0.49) ALDH1A1LMNATP53MEN1KMT2A
SCHEMBL2832628 0.76 ITGAL (0.45) GPR183ALDH1A1LMNATP53ITGB2
SCHEMBL4382908 0.73 OPRD1 (0.38) ALDH1A1LMNA

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 GPR183 264/4885ALDH1A1 1907/4885LMNA 4304/4885

“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.