SCHEMBL4377913

SCHEMBL4377913

COc1ccc(CCCC(=O)N2CCN(c3ccncc3)CC2)cc1

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.59
GAA P10253 1/20 0.59
MAPT P10636 6/20 0.59
SMN1; SMN2 Q16637 4/20 0.59
HTT P42858 2/20 0.59
FKBP1A P62942 1/20 0.56
GFER P55789 1/20 0.56
LMNA P02545 3/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55
ME2 P23368 1/20 0.54
ME1 P48163 1/20 0.54
ME3 Q16798 1/20 0.54
POLB P06746 2/20 0.54
GRM5 P41594 1/20 0.54
CHRM1 P11229 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
SCHEMBL4375389 0.93 FKBP1A (0.65) ALDH1A1GAAMAPTSMN1; SMN2HTT
SCHEMBL4377694 0.85 KMT2A (0.63) ALDH1A1GAAMAPTSMN1; SMN2HTT
SCHEMBL31329280 0.81 FKBP1A (0.64) ALDH1A1MAPTSMN1; SMN2FKBP1AMEN1
SCHEMBL31329327 0.81 FKBP1A (0.64) ALDH1A1MAPTSMN1; SMN2FKBP1AMEN1
SCHEMBL4377632 0.81 MAPK1 (0.75) ALDH1A1GAAMAPTSMN1; SMN2HTT
SCHEMBL31329283 0.80 FKBP1A (0.85) ALDH1A1GAAMAPTSMN1; SMN2FKBP1A
SCHEMBL31329285 0.80 HPGD (0.66) ALDH1A1MAPTSMN1; SMN2HTTFKBP1A
SCHEMBL31329313 0.80 HPGD (0.66) ALDH1A1MAPTSMN1; SMN2HTTFKBP1A
SCHEMBL4378642 0.80 L3MBTL1 (0.57) ALDH1A1GAAMAPTGFERLMNA
SCHEMBL14218056 0.79 SIGMAR1 (0.60) ALDH1A1MAPTSMN1; SMN2FKBP1ALMNA

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 ALDH1A1 1907/4885GAA 2830/4885MAPT 1441/4885

“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.