SCHEMBL4377690

SCHEMBL4377690

COc1cc(CCC(=O)N2CCN(c3ccncc3)CC2)cc(OC)c1OC

nearest known ligand 0.72

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 7/20 0.72
KDM4E B2RXH2 2/20 0.71
POLB P06746 1/20 0.71
ALDH1A1 P00352 3/20 0.67
HPGD P15428 1/20 0.67
CASP1 P29466 1/20 0.67
CASP7 P55210 1/20 0.67
HSD17B10 Q99714 1/20 0.67
MEN1 O00255 4/20 0.65
GFER P55789 2/20 0.49
TGFBR1 P36897 1/20 0.47
ACVR1 Q04771 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
TSHR P16473 1/20 0.46
GAA P10253 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
SCHEMBL4375437 0.89 KMT2A (0.72) KMT2AKDM4EPOLBALDH1A1HPGD
SCHEMBL4375389 0.82 FKBP1A (0.65) KMT2APOLBALDH1A1MEN1GFER
SCHEMBL4377694 0.82 KMT2A (0.63) KMT2AKDM4EPOLBALDH1A1HPGD
SCHEMBL4388888 0.82 KDM4E (0.51) KMT2AKDM4EPOLBALDH1A1HPGD
SCHEMBL4378642 0.81 L3MBTL1 (0.57) KMT2AKDM4EPOLBALDH1A1MEN1
SCHEMBL4376079 0.81 MEN1 (0.77) KMT2AKDM4EALDH1A1MEN1L3MBTL1
SCHEMBL4388892 0.78 KMT2A (0.47) KMT2AKDM4EPOLBALDH1A1HPGD
SCHEMBL14218137 0.78 KDM4E (0.65) KMT2AKDM4EPOLBALDH1A1HPGD
SCHEMBL10771524 0.77 KDM4E (0.63) KMT2AKDM4EPOLBALDH1A1HPGD
SCHEMBL13636195 0.76 ROCK2 (0.54) KMT2AALDH1A1MEN1GFERL3MBTL1

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 8 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-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
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 295/4885KDM4E 1567/4885POLB 3551/4885

“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.