SCHEMBL13636009

SCHEMBL13636009

C=CCN1CCN(C(=O)/C=C\c2ccc(OC)cc2OC)CC1

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.59
KDM4E B2RXH2 1/20 0.59
LMNA P02545 1/20 0.59
GAA P10253 1/20 0.59
MAPT P10636 4/20 0.57
ALDH1A1 P00352 2/20 0.57
MEN1 O00255 2/20 0.57
KMT2A Q03164 2/20 0.57
LY96 Q9Y6Y9 1/20 0.51
TDP1 Q9NUW8 2/20 0.51
ACHE P22303 2/20 0.50
TNFRSF1A P19438 1/20 0.50
HPGD P15428 1/20 0.49
PTGS2 P35354 3/20 0.48
PTGS1 P23219 1/20 0.48
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
BACE1 P56817 1/20 0.47
MAPK1 P28482 1/20 0.47

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
SCHEMBL4377280 1.00 SMN1; SMN2 (0.59) SMN1; SMN2KDM4ELMNAGAAMAPT
SCHEMBL4380888 0.91 JUN (0.57) SMN1; SMN2KDM4ELMNAGAAMAPT
SCHEMBL14218123 0.87 TDP1 (0.64) SMN1; SMN2KDM4ELMNAGAAMAPT
SCHEMBL14190948 0.81 TDP1 (0.47) SMN1; SMN2KDM4ELMNAMAPTALDH1A1
SCHEMBL4379174 0.81 TDP1 (0.47) SMN1; SMN2KDM4ELMNAMAPTALDH1A1
SCHEMBL14190945 0.80 GPR183 (0.57) KDM4EALDH1A1TDP1ACHEHPGD
SCHEMBL4381758 0.80 GPR183 (0.57) KDM4EALDH1A1TDP1ACHEHPGD
SCHEMBL14190946 0.80 LMNA (0.59) KDM4ELMNAMAPTKMT2ALY96
SCHEMBL4378985 0.80 LMNA (0.59) KDM4ELMNAMAPTKMT2ALY96
SCHEMBL8148362 0.78 KDM4E (0.57) SMN1; SMN2KDM4ELMNAGAAMAPT

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 5 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 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

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 SMN1; SMN2 2684/4885KDM4E 1567/4885LMNA 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.