SCHEMBL4377754

SCHEMBL4377754

C=CCN1CCN(C(=O)CCc2cc(OC)c(OC)c(OC)c2)CC1

nearest known ligand 0.67

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.60
POLB P06746 1/20 0.60
KMT2A Q03164 6/20 0.58
MEN1 O00255 3/20 0.58
ALDH1A1 P00352 4/20 0.55
HSD17B10 Q99714 2/20 0.55
HPGD P15428 1/20 0.55
CASP1 P29466 1/20 0.55
CASP7 P55210 1/20 0.55
CYP2C9 P11712 2/20 0.53
ALOX15 P16050 1/20 0.53
TSHR P16473 1/20 0.53
CYP2C19 P33261 1/20 0.53
NPC1 O15118 1/20 0.52
RAB9A P51151 1/20 0.52
CYP3A4 P08684 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.45

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
SCHEMBL4377253 0.87 KMT2A (0.58) KDM4EPOLBKMT2AMEN1ALDH1A1
SCHEMBL14218137 0.85 KDM4E (0.65) KDM4EPOLBKMT2AMEN1ALDH1A1
SCHEMBL1617330 0.83 KDM4E (0.63) KDM4EPOLBKMT2AMEN1ALDH1A1
SCHEMBL4386065 0.81 FKBP1A (0.63) KDM4EPOLBKMT2AMEN1ALDH1A1
SCHEMBL4378637 0.81 NPC1 (0.64) KDM4EKMT2AMEN1ALDH1A1NPC1
SCHEMBL1616766 0.79 KMT2A (0.60) KDM4EPOLBKMT2AMEN1ALDH1A1
SCHEMBL5066313 0.79 KMT2A (0.65) KDM4EPOLBKMT2AMEN1ALDH1A1
SCHEMBL4377878 0.79 SIGMAR1 (0.61) KDM4EKMT2AMEN1ALDH1A1CASP7
SCHEMBL10771524 0.79 KDM4E (0.63) KDM4EPOLBKMT2AMEN1ALDH1A1
SCHEMBL4377435 0.79 KMT2A (0.61) KDM4EKMT2AMEN1ALDH1A1ALOX15

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 9 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
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 KDM4E 1567/4885POLB 3551/4885KMT2A 295/4885

“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.