SCHEMBL13636214

SCHEMBL13636214

COc1ccc(CCCC(=O)N2CCN(CC3CC3)CC2)cc1F

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.47
MEN1 O00255 2/20 0.47
HRH3 Q9Y5N1 2/20 0.45
CHRM5 P08912 1/20 0.44
CHRM1 P11229 1/20 0.44
CHRM3 P20309 1/20 0.44
PTGDR2 Q9Y5Y4 2/20 0.43
KDM1A O60341 1/20 0.43
KCNH2 Q12809 1/20 0.43
LMNA P02545 1/20 0.43

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
Hydrochloric Acid SCHEMBL4378993 0.99 KMT2A (0.46) KMT2AMEN1HRH3CHRM5CHRM1
SCHEMBL14190971 0.82 HRH3 (0.66) KMT2AMEN1HRH3LMNA
SCHEMBL13636174 0.81 KMT2A (0.46) KMT2AMEN1HRH3CHRM5CHRM1
Hydrochloric Acid SCHEMBL4388597 0.80 HRH3 (0.46) KMT2AMEN1HRH3CHRM5CHRM1
SCHEMBL22813664 0.77 KMT2A (0.52) KMT2AHRH3
SCHEMBL14218139 0.77 KMT2A (0.56) KMT2AMEN1
SCHEMBL13636510 0.76 HRH3 (0.66) KMT2AMEN1HRH3LMNA
SCHEMBL2157438 0.75 DRD3 (0.46) KMT2AMEN1KDM1A
Hydrochloric Acid SCHEMBL5063044 0.75 HRH3 (0.68) KMT2AMEN1HRH3LMNA
SCHEMBL4375426 0.74 HRH3 (0.64) HRH3

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 5 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 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

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 295/4885MEN1 2570/4885HRH3 1/4885

“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.