SCHEMBL4376257

SCHEMBL4376257

C=CCN1CCN(C(=O)CCCOc2ccc(Cl)cc2C)CC1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.72
CYP3A4 P08684 1/20 0.72
CYP2D6 P10635 1/20 0.72
CYP2C19 P33261 1/20 0.72
HPGD P15428 5/20 0.71
RAB9A P51151 4/20 0.71
NPC1 O15118 4/20 0.71
MEN1 O00255 3/20 0.71
KMT2A Q03164 3/20 0.71
NPSR1 Q6W5P4 2/20 0.71
ALDH1A1 P00352 4/20 0.62
TSHR P16473 4/20 0.62
MAPT P10636 4/20 0.62
LMNA P02545 5/20 0.56
SMN1; SMN2 Q16637 3/20 0.56
MAPK1 P28482 2/20 0.56
GAA P10253 1/20 0.56
HTT P42858 1/20 0.56
KDM4E B2RXH2 4/20 0.53
GLA P06280 1/20 0.53

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
SCHEMBL4384486 0.89 HPGD (0.70) CYP1A2CYP3A4CYP2D6CYP2C19HPGD
SCHEMBL24163013 0.84 HPGD (0.97) CYP1A2CYP3A4CYP2D6CYP2C19HPGD
SCHEMBL4377454 0.79 HPGD (0.74) CYP1A2CYP3A4CYP2D6CYP2C19HPGD
SCHEMBL4377859 0.78 CYP1A2 (0.71) CYP1A2CYP3A4CYP2D6CYP2C19HPGD
SCHEMBL4378943 0.78 HPGD (0.76) CYP1A2CYP3A4CYP2D6CYP2C19HPGD
SCHEMBL2829777 0.77 HPGD (0.78) CYP1A2CYP3A4CYP2D6CYP2C19HPGD
SCHEMBL14683416 0.76 CYP1A2 (0.69) CYP1A2CYP3A4CYP2D6CYP2C19HPGD
SCHEMBL25935737 0.75 SMN1; SMN2 (0.77) CYP1A2CYP3A4CYP2D6CYP2C19HPGD
SCHEMBL24163542 0.74 HPGD (1.00) CYP1A2CYP3A4CYP2D6CYP2C19HPGD
Mcpb SCHEMBL117879 0.72 KDM4E (0.72) CYP1A2CYP3A4CYP2D6CYP2C19HPGD

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 CYP1A2 1124/4885CYP3A4 2028/4885CYP2D6 1536/4885

“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.