SCHEMBL4375187

SCHEMBL4375187

COc1ccc(CCC(=O)N2CCN(C3CCCCC3)CC2)cc1OC

nearest known ligand 0.73

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.73
TSHR P16473 2/20 0.73
ALDH1A1 P00352 2/20 0.73
MEN1 O00255 4/20 0.57
RAB9A P51151 1/20 0.56
MAPK1 P28482 1/20 0.53
HSD17B10 Q99714 1/20 0.53
SHMT2 P34897 1/20 0.51
GFER P55789 1/20 0.49
EPHX1 P07099 1/20 0.49
L3MBTL3 Q96JM7 1/20 0.49

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
SCHEMBL4377238 0.99 KMT2A (0.71) KMT2ATSHRALDH1A1MEN1RAB9A
SCHEMBL4384250 0.93 KMT2A (0.64) KMT2ATSHRALDH1A1MEN1RAB9A
SCHEMBL4375522 0.92 KMT2A (0.62) KMT2ATSHRALDH1A1MEN1RAB9A
Hydrochloric Acid SCHEMBL4378950 0.91 KMT2A (0.61) KMT2ATSHRALDH1A1MEN1RAB9A
SCHEMBL2833221 0.90 L3MBTL3 (0.59) KMT2ATSHRALDH1A1MEN1RAB9A
SCHEMBL4382131 0.87 KMT2A (0.68) KMT2ATSHRALDH1A1MEN1RAB9A
SCHEMBL4377262 0.86 KMT2A (0.66) KMT2ATSHRALDH1A1MEN1RAB9A
SCHEMBL4384079 0.85 ALDH1A1 (1.00) KMT2ATSHRALDH1A1MEN1RAB9A
SCHEMBL4383272 0.83 ALDH1A1 (0.98) KMT2ATSHRALDH1A1MEN1RAB9A
SCHEMBL2832797 0.83 KMT2A (0.52) KMT2ATSHRALDH1A1MEN1L3MBTL3

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 6 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-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 295/4885TSHR 621/4885ALDH1A1 1907/4885

“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.