SCHEMBL4376236

SCHEMBL4376236

COc1ccccc1C=CC(=O)N1CCN(c2ccncc2)CC1

nearest known ligand 0.67

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.67
KDM4E B2RXH2 3/20 0.67
CYP1A1 P04798 1/20 0.57
CYP1A2 P05177 1/20 0.57
CYP2D6 P10635 1/20 0.57
CYP1B1 Q16678 1/20 0.57
ACHE P22303 2/20 0.55
MAPT P10636 4/20 0.54
ALDH1A1 P00352 3/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
NPC1 O15118 2/20 0.54
HTT P42858 2/20 0.54
RAB9A P51151 1/20 0.54
TFEB P19484 1/20 0.53
NFE2L2 Q16236 1/20 0.53
LMNA P02545 3/20 0.52
KMT2A Q03164 1/20 0.52

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
SCHEMBL14190943 1.00 HPGD (0.67) HPGDKDM4ECYP1A1CYP1A2CYP2D6
SCHEMBL4375452 0.90 LMNA (0.63) HPGDKDM4EACHEMAPTALDH1A1
SCHEMBL14190918 0.90 LMNA (0.63) HPGDKDM4EACHEMAPTALDH1A1
SCHEMBL14190916 0.85 GAA (0.61) KDM4ECYP1A1CYP1B1ACHEMAPT
SCHEMBL4380520 0.85 GAA (0.61) KDM4ECYP1A1CYP1B1ACHEMAPT
SCHEMBL4384479 0.81 KDM4E (0.50) HPGDKDM4ECYP1A1CYP1A2CYP2D6
SCHEMBL13635985 0.81 KDM4E (0.50) HPGDKDM4ECYP1A1CYP1A2CYP2D6
SCHEMBL22110827 0.81 HPGD (0.80) HPGDKDM4EMAPTALDH1A1SMN1; SMN2
SCHEMBL13636168 0.80 KDM4E (0.66) HPGDKDM4ECYP1A1CYP1A2CYP2D6
SCHEMBL4375868 0.80 KDM4E (0.66) HPGDKDM4ECYP1A1CYP1A2CYP2D6

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 HPGD 646/4885KDM4E 1567/4885CYP1A1 1278/4885

“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.