SCHEMBL13635985

SCHEMBL13635985

COc1ccc(/C=C/C(=O)N2CCN(c3ccncc3)CC2)c(Cl)c1OC

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.50
ALDH1A1 P00352 2/20 0.50
MAPT P10636 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
ACHE P22303 5/20 0.49
CYP1A1 P04798 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP1B1 Q16678 1/20 0.47
LMNA P02545 1/20 0.47
ITGB2 P05107 1/20 0.46
ICAM1 P05362 1/20 0.46
ITGAL P20701 1/20 0.46
HPGD P15428 2/20 0.44
CFD P00746 1/20 0.44
HCAR2 Q8TDS4 1/20 0.44
GAA P10253 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
SCHEMBL4384479 1.00 KDM4E (0.50) KDM4EALDH1A1MAPTSMN1; SMN2ACHE
SCHEMBL4375452 0.85 LMNA (0.63) KDM4EALDH1A1MAPTSMN1; SMN2ACHE
SCHEMBL14190918 0.85 LMNA (0.63) KDM4EALDH1A1MAPTSMN1; SMN2ACHE
SCHEMBL4376236 0.81 HPGD (0.67) KDM4EALDH1A1MAPTSMN1; SMN2ACHE
SCHEMBL14190943 0.81 HPGD (0.67) KDM4EALDH1A1MAPTSMN1; SMN2ACHE
SCHEMBL4380520 0.81 GAA (0.61) KDM4EALDH1A1MAPTSMN1; SMN2ACHE
SCHEMBL14190916 0.81 GAA (0.61) KDM4EALDH1A1MAPTSMN1; SMN2ACHE
SCHEMBL14218034 0.81 TDP1 (0.61) ALDH1A1SMN1; SMN2LMNAITGB2ICAM1
SCHEMBL13636365 0.78 HPGD (0.47) KDM4EALDH1A1MAPTSMN1; SMN2ITGB2
SCHEMBL14190948 0.78 TDP1 (0.47) KDM4EALDH1A1MAPTSMN1; SMN2ACHE

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 KDM4E 1567/4885ALDH1A1 1907/4885MAPT 1441/4885

“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.