SCHEMBL5173084

SCHEMBL5173084

CCOC(=O)c1cn(Cc2ccc3c(c2)CCN(C(=O)OC(C)(C)C)CC3)cn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ESR2 Q92731 1/20 0.43
▸ NR1H2 P55055 1/20 0.42
▸ JAK2 O60674 1/20 0.40
▸ JAK3 P52333 1/20 0.40
▸ PTK2 Q05397 1/20 0.40
▸ HPGD P15428 2/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ ATM Q13315 1/20 0.38
▸ ADORA1 P30542 1/20 0.38
▸ GPR119 Q8TDV5 2/20 0.37
▸ TP53 P04637 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ NOTUM Q6P988 1/20 0.37
▸ ALDH1A1 P00352 2/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ SMN1; SMN2 Q16637 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
SCHEMBL5170986 0.89 ESR2 (0.46) ESR2NR1H2JAK2JAK3PTK2
SCHEMBL5661745 0.86 ESR2 (0.43) ESR2NR1H2JAK2JAK3PTK2
SCHEMBL5662423 0.80 ESR2 (0.43) ESR2NR1H2JAK2JAK3PTK2
SCHEMBL5663494 0.79 GPR119 (0.47) ESR2NR1H2JAK2JAK3PTK2
SCHEMBL31075220 0.78 HPGD (0.52) ESR2NR1H2HPGDADORA1ALDH1A1
SCHEMBL22494235 0.75 ESR2 (0.50) ESR2NR1H2JAK2JAK3PTK2
SCHEMBL1787313 0.74 ESR2 (0.59) ESR2NR1H2JAK2JAK3PTK2
SCHEMBL5171897 0.73 NOTUM (0.35) HPGDNPC1RAB9ATP53NOTUM
SCHEMBL24127354 0.73 ESR2 (0.53) ESR2NR1H2ADORA1TP53POLB
SCHEMBL30133731 0.73 ESR2 (0.53) ESR2NR1H2ADORA1TP53POLB

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070208005-A1 TETRAHYDROBENZAZEPINES AS ANTAGONISTS AND/OR REVERSE AGONISTS OF THE HISTAMINE H3 RECEPTOR GLAXO GROUP LIMITED (GB) 2007-09-06 — — US disclosed
EP-1778643-A1 TETRAHYDROBENZAZEPINES AS ANTAGONISTS AND/OR REVERSE AGONISTS OF THE HISTAMINE H3 RECEPTOR GLAXO GROUP LIMITED (GB) 2007-05-02 — — EP disclosed
WO-2006018260-A1 TETRAHYDROBENZAZEPINES AS ANTAGONISTS AND/OR REVERSE AGONISTS OF THE HISTAMINE H 3 RECEPTOR GLAXO GROUP LIMITED (GB) 2006-02-23 — — WO 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-20070208005-A1 TETRAHYDROBENZAZEPINES AS ANTAGONISTS AND/OR REVERSE AGONISTS OF THE HISTAMINE H3 RECEPTOR HRH3, HRH4, HRH1 ESR2 938/4885NR1H2 354/4885JAK2 1152/4885

“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.

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