SCHEMBL4375414

SCHEMBL4375414

COc1ccccc1OCC(=O)N1CCN(c2ccncc2)CC1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.70
KMT2A Q03164 5/20 0.62
MEN1 O00255 4/20 0.62
CYP2C9 P11712 3/20 0.59
CYP2C19 P33261 2/20 0.59
MAPT P10636 2/20 0.58
MAPK1 P28482 2/20 0.58
HTT P42858 2/20 0.57
KDM4E B2RXH2 2/20 0.57
ALDH1A1 P00352 2/20 0.57
LMNA P02545 2/20 0.57
NPSR1 Q6W5P4 1/20 0.57
HSD17B10 Q99714 1/20 0.57
CYP3A4 P08684 2/20 0.56
CYP1A2 P05177 1/20 0.56
ADRA1A P35348 1/20 0.56
ADRA1B P35368 1/20 0.56
TP53 P04637 1/20 0.56
CYP2D6 P10635 1/20 0.55
THRB P10828 1/20 0.55

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
SCHEMBL27402094 0.90 TSHR (0.76) TSHRKMT2AMEN1CYP2C9CYP2C19
SCHEMBL4378529 0.86 ALDH1A1 (0.62) TSHRKMT2ACYP2C9CYP2C19MAPT
SCHEMBL4378341 0.85 HTT (0.76) TSHRKMT2AMEN1CYP2C9CYP2C19
Hydrochloric Acid SCHEMBL4382890 0.85 ALDH1A1 (0.61) TSHRKMT2ACYP2C9CYP2C19MAPT
SCHEMBL4379305 0.83 KMT2A (0.65) TSHRKMT2AMEN1CYP2C9MAPT
SCHEMBL4379063 0.83 KDM4E (0.82) TSHRCYP2C9CYP2C19MAPTHTT
SCHEMBL4377632 0.82 MAPK1 (0.75) TSHRKMT2AMEN1CYP2C9CYP2C19
SCHEMBL4376079 0.81 MEN1 (0.77) TSHRKMT2AMEN1MAPTHTT
SCHEMBL4382063 0.81 HTT (0.63) TSHRKMT2AMEN1CYP2C9CYP2C19
SCHEMBL791659 0.79 KMT2A (0.71) TSHRKMT2AMEN1KDM4EALDH1A1

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 TSHR 621/4885KMT2A 295/4885MEN1 2570/4885

“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.