SCHEMBL5663502

SCHEMBL5663502

CNC(=O)c1ccc(OCc2ccc3c(c2)CCNCC3)nn1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 3/20 0.46
▸ SYK P43405 2/20 0.42
▸ AURKB Q96GD4 2/20 0.42
▸ INCENP Q9NQS7 2/20 0.42
▸ MLNR O43193 5/20 0.41
▸ GABRA1 P14867 1/20 0.41
▸ CYP2D6 P10635 2/20 0.41
▸ RXRB P28702 1/20 0.37
▸ NPC1 O15118 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ TP53 P04637 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ PARP1 P09874 1/20 0.35
▸ HRH1 P35367 1/20 0.35
▸ MELK Q14680 1/20 0.34

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
SCHEMBL5168814 0.85 HRH3 (0.47) HRH3SYKAURKBINCENPMLNR
SCHEMBL5660251 0.83 SYK (0.48) HRH3SYKAURKBINCENPMLNR
SCHEMBL5660371 0.83 HRH3 (0.48) HRH3GABRA1RXRBPARP1HRH1
SCHEMBL5662060 0.81 HRH3 (0.72) HRH3CYP2D6HRH1
SCHEMBL5663594 0.81 HRH3 (0.69) HRH3MLNRCYP2D6HRH1
SCHEMBL5170881 0.80 GPR119 (0.48) HRH3GABRA1NPC1RAB9AHRH1
SCHEMBL5181956 0.74 MLNR (0.46) HRH3SYKAURKBINCENPMLNR
SCHEMBL5660505 0.72 MLNR (0.40) SYKAURKBINCENPMLNR
SCHEMBL5181701 0.72 NNMT (0.46) SYKAURKBINCENPMLNRCYP2D6
SCHEMBL5172012 0.71 HRH3 (0.40) HRH3GABRA1HRH1

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 1/4885SYK 4267/4885AURKB 1120/4885

“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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