SCHEMBL5663310

SCHEMBL5663310

CCNC(=O)c1cnc(Cc2ccc3c(c2)CCN(C(=O)OC(C)(C)C)CC3)cn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 2/20 0.43
▸ ESR2 Q92731 1/20 0.42
▸ SMN1; SMN2 Q16637 4/20 0.42
▸ MEN1 O00255 2/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ MAPT P10636 2/20 0.42
▸ TSHR P16473 1/20 0.42
▸ GPR119 Q8TDV5 4/20 0.41
▸ NR1H2 P55055 1/20 0.41
▸ JAK2 O60674 2/20 0.40
▸ JAK3 P52333 2/20 0.40
▸ PTK2 Q05397 2/20 0.40
▸ NPC1 O15118 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ MAP3K5 Q99683 2/20 0.37
▸ CYP2C19 P33261 1/20 0.36
▸ GNRHR P30968 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ HRH1 P35367 1/20 0.36

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
SCHEMBL5661667 0.92 ESR2 (0.44) HRH3ESR2SMN1; SMN2MEN1KMT2A
SCHEMBL5662595 0.88 ESR2 (0.44) ESR2SMN1; SMN2MEN1KMT2AMAPT
SCHEMBL5168466 0.88 NR1H2 (0.47) ESR2SMN1; SMN2MEN1KMT2AMAPT
SCHEMBL5662803 0.88 NR1H2 (0.47) ESR2SMN1; SMN2MEN1KMT2AMAPT
SCHEMBL5662883 0.83 ESR2 (0.43) ESR2GPR119NR1H2JAK2JAK3
SCHEMBL5660851 0.83 NR1H2 (0.51) ESR2GPR119NR1H2JAK2JAK3
SCHEMBL5661913 0.80 GPR119 (0.47) HRH3ESR2SMN1; SMN2MEN1KMT2A
SCHEMBL5662956 0.80 ESR2 (0.47) ESR2GPR119NR1H2JAK2JAK3
SCHEMBL5197271 0.80 HRH3 (0.64) HRH3HRH1
SCHEMBL5662183 0.80 MLNR (0.43) HRH3SMN1; SMN2MAPTNPC1RAB9A

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 1 patent. 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

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 HRH3 1/4885ESR2 938/4885SMN1; SMN2 2548/4885

“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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