SCHEMBL4385546

SCHEMBL4385546

COc1ccc(OC)c(C(=O)CCC(=O)N2CCN(C3CCCC3)CC2)c1

nearest known ligand 0.61

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.61
ALDH1A1 P00352 2/20 0.61
TSHR P16473 1/20 0.61
RAB9A P51151 2/20 0.59
HRH3 Q9Y5N1 6/20 0.53
MEN1 O00255 1/20 0.49
NPC1 O15118 1/20 0.48
MTNR1B P49286 1/20 0.47
KDM2B Q8NHM5 3/20 0.47
PKM P14618 1/20 0.47

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 SCHEMBL4378952 0.99 KMT2A (0.60) KMT2AALDH1A1TSHRRAB9AHRH3
SCHEMBL4377517 0.88 HRH3 (0.64) KMT2AALDH1A1TSHRRAB9AHRH3
Hydrochloric Acid SCHEMBL4383540 0.87 HRH3 (0.64) KMT2AALDH1A1TSHRRAB9AHRH3
SCHEMBL4379317 0.83 HRH3 (0.61) KMT2AALDH1A1TSHRHRH3KDM2B
SCHEMBL4379199 0.83 HRH3 (0.56) KMT2AALDH1A1TSHRRAB9AHRH3
SCHEMBL4379469 0.82 HRH3 (0.64) KMT2AALDH1A1TSHRRAB9AHRH3
Hydrochloric Acid SCHEMBL4377590 0.82 HRH3 (0.56) KMT2AALDH1A1TSHRRAB9AHRH3
Hydrochloric Acid SCHEMBL4380584 0.82 HRH3 (0.62) KMT2AALDH1A1TSHRHRH3KDM2B
Hydrochloric Acid SCHEMBL4377733 0.81 HRH3 (0.65) KMT2AALDH1A1TSHRRAB9AHRH3
SCHEMBL3772205 0.80 ALDH1A1 (0.50) KMT2AALDH1A1TSHRRAB9AMEN1

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
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

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 295/4885ALDH1A1 1907/4885TSHR 621/4885

“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.