SCHEMBL4375449

SCHEMBL4375449

COc1cccc(C(=O)C=CN2CCN(c3ccncc3)CC2)c1OC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.48
MAPT P10636 5/20 0.45
ALDH1A1 P00352 5/20 0.45
HSD17B10 Q99714 2/20 0.45
TSHR P16473 2/20 0.45
TYR P14679 1/20 0.43
RAB9A P51151 3/20 0.42
POLB P06746 2/20 0.42
HTT P42858 1/20 0.42
LMNA P02545 3/20 0.42
NPC1 O15118 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
AHR P35869 1/20 0.42
GFER P55789 1/20 0.42
F10 P00742 1/20 0.42
GAA P10253 1/20 0.41
CYP1A1 P04798 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP1B1 Q16678 1/20 0.41
ALOX15 P16050 1/20 0.41

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
SCHEMBL4376233 0.91 TSHR (0.51) CYP3A4MAPTALDH1A1HSD17B10TSHR
SCHEMBL4383089 0.86 ALDH1A1 (0.41) CYP3A4MAPTALDH1A1HSD17B10TSHR
SCHEMBL4380518 0.80 ABCB1 (0.52) CYP3A4MAPTALDH1A1TSHRRAB9A
SCHEMBL4375865 0.78 ALDH1A1 (0.50) CYP3A4MAPTALDH1A1HSD17B10RAB9A
SCHEMBL4382981 0.77 GAA (0.53) MAPTALDH1A1POLBHTTLMNA
SCHEMBL4378981 0.77 ALDH1A1 (0.44) CYP3A4MAPTALDH1A1HSD17B10POLB
SCHEMBL4378526 0.77 ROCK2 (0.51) CYP3A4MAPTALDH1A1RAB9ALMNA
SCHEMBL4380856 0.76 GAA (0.52) MAPTALDH1A1TSHRPOLBHTT
SCHEMBL4377394 0.75 ALDH1A1 (0.51) CYP3A4MAPTALDH1A1LMNANPC1
SCHEMBL2831500 0.75 KDM4E (0.50) MAPTALDH1A1POLBHTTLMNA

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 4 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-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 CYP3A4 2028/4885MAPT 1441/4885ALDH1A1 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.