SCHEMBL5663067

SCHEMBL5663067

CNC(=O)c1ccc(Cc2ccc3c(c2)CCNCC3)nc1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ SYK P43405 3/20 0.48
▸ AURKB Q96GD4 2/20 0.48
▸ INCENP Q9NQS7 2/20 0.48
▸ HTR2B P41595 1/20 0.44
▸ MLNR O43193 3/20 0.41
▸ MELK Q14680 2/20 0.41
▸ CYP2D6 P10635 1/20 0.41
▸ HRH3 Q9Y5N1 2/20 0.40
▸ NPC1 O15118 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ PRMT5 O14744 1/20 0.39
▸ WDR77 Q9BQA1 1/20 0.39
▸ SLC2A1 P11166 1/20 0.38
▸ BAZ2B Q9UIF8 1/20 0.38
▸ PLK1 P53350 1/20 0.38

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
SCHEMBL5181956 0.84 MLNR (0.46) SYKAURKBINCENPHTR2BMLNR
SCHEMBL5660251 0.83 SYK (0.48) SYKAURKBINCENPMLNRCYP2D6
SCHEMBL5660536 0.80 HRH3 (0.66) CYP2D6HRH3PRMT5WDR77
SCHEMBL5661913 0.78 GPR119 (0.47) HRH3NPC1MAPTPRMT5WDR77
SCHEMBL5662183 0.76 MLNR (0.43) SYKAURKBINCENPHTR2BMLNR
SCHEMBL3077653 0.76 HRH3 (0.67) SYKAURKBINCENPMLNRCYP2D6
SCHEMBL5172384 0.74 MLNR (0.50) SYKAURKBINCENPHTR2BMLNR
SCHEMBL5168814 0.72 HRH3 (0.47) SYKAURKBINCENPMLNRMELK
SCHEMBL5660505 0.70 MLNR (0.40) SYKAURKBINCENPMLNR
SCHEMBL5664229 0.70 CYP11B1 (0.42) SYKAURKBINCENPHTR2BMLNR

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 SYK 4267/4885AURKB 1120/4885INCENP 4094/4885

“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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