SCHEMBL4382984

SCHEMBL4382984

COc1cccc(C=CC(=O)N2CCN(C3CCCC3)CC2)c1OC

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.61
HPGD P15428 2/20 0.58
NFE2L2 Q16236 2/20 0.57
LMNA P02545 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.53
KDM4E B2RXH2 2/20 0.52
TRPM8 Q7Z2W7 2/20 0.52
NPC1 O15118 1/20 0.52
MAPT P10636 1/20 0.52
RAB9A P51151 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
GAA P10253 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
ABCB1 P08183 1/20 0.47
LY96 Q9Y6Y9 1/20 0.47
CYP1A1 P04798 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2D6 P10635 1/20 0.46

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
SCHEMBL14190940 1.00 KMT2A (0.61) KMT2AHPGDNFE2L2LMNAL3MBTL1
SCHEMBL14190925 0.99 KMT2A (0.60) KMT2AHPGDNFE2L2LMNAL3MBTL1
SCHEMBL4386306 0.99 KMT2A (0.60) KMT2AHPGDNFE2L2LMNAL3MBTL1
SCHEMBL2831501 0.91 HPGD (0.61) KMT2AHPGDNFE2L2LMNAL3MBTL1
SCHEMBL3769341 0.89 L3MBTL1 (0.53) KMT2AHPGDNFE2L2LMNAL3MBTL1
SCHEMBL3769345 0.89 L3MBTL1 (0.53) KMT2AHPGDNFE2L2LMNAL3MBTL1
SCHEMBL13636165 0.85 HPGD (0.46) KMT2AHPGDNFE2L2LMNAL3MBTL1
SCHEMBL13636365 0.85 HPGD (0.47) KMT2AHPGDL3MBTL1KDM4ENPC1
SCHEMBL4377227 0.85 HPGD (0.47) KMT2AHPGDL3MBTL1KDM4ENPC1
SCHEMBL13636199 0.84 HPGD (0.45) KMT2AHPGDNFE2L2LMNAL3MBTL1

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 KMT2A 295/4885HPGD 646/4885NFE2L2 2298/4885

“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.