SCHEMBL4383089

SCHEMBL4383089

COc1ccc(C(=O)C=CN2CCN(c3ccncc3)CC2)c(Cl)c1OC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.41
MAPT P10636 3/20 0.41
USP2 O75604 2/20 0.41
HTR4 Q13639 1/20 0.41
NPC1 O15118 1/20 0.41
LMNA P02545 1/20 0.41
MAPK1 P28482 1/20 0.41
CYP1A1 P04798 3/20 0.41
CYP1A2 P05177 3/20 0.41
CYP1B1 Q16678 3/20 0.41
CYP2D6 P10635 2/20 0.41
CYP3A4 P08684 1/20 0.39
GAA P10253 1/20 0.39
F10 P00742 1/20 0.39
TRPV1 Q8NER1 1/20 0.38
HSD17B10 Q99714 1/20 0.38
MCL1 Q07820 1/20 0.38
CYP2C8 P10632 1/20 0.37
JAK2 O60674 1/20 0.37
HIF1A Q16665 1/20 0.37

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
SCHEMBL4375449 0.86 CYP3A4 (0.48) ALDH1A1MAPTNPC1LMNACYP1A1
SCHEMBL4376233 0.83 TSHR (0.51) ALDH1A1MAPTUSP2NPC1LMNA
SCHEMBL4380518 0.82 ABCB1 (0.52) ALDH1A1MAPTNPC1LMNAMAPK1
SCHEMBL4379172 0.79 ALDH1A1 (0.41) ALDH1A1MAPTUSP2HTR4NPC1
SCHEMBL4377225 0.79 ALDH1A1 (0.44) ALDH1A1MAPTUSP2NPC1LMNA
SCHEMBL4377581 0.78 ALDH1A1 (0.46) ALDH1A1MAPTUSP2NPC1LMNA
SCHEMBL2833138 0.77 ALDH1A1 (0.46) ALDH1A1MAPTUSP2NPC1LMNA
SCHEMBL4384479 0.76 KDM4E (0.50) ALDH1A1MAPTLMNACYP1A1CYP1A2
SCHEMBL13635985 0.76 KDM4E (0.50) ALDH1A1MAPTLMNACYP1A1CYP1A2
SCHEMBL4377394 0.74 ALDH1A1 (0.51) ALDH1A1MAPTUSP2NPC1LMNA

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 ALDH1A1 1907/4885MAPT 1441/4885USP2 2350/4885

“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.