SCHEMBL5172384

SCHEMBL5172384

N#Cc1ccc(Cc2ccc3c(c2)CCNCC3)nc1

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ MLNR O43193 6/20 0.50
▸ HTR2B P41595 3/20 0.49
▸ DRD2 P14416 2/20 0.46
▸ DRD3 P35462 2/20 0.46
▸ PNMT P11086 1/20 0.46
▸ HTR2C P28335 5/20 0.42
▸ SYK P43405 1/20 0.41
▸ AURKB Q96GD4 1/20 0.41
▸ INCENP Q9NQS7 1/20 0.41
▸ CYP2D6 P10635 3/20 0.39

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
SCHEMBL5168359 0.82 DRD2 (0.54) MLNRHTR2BDRD2DRD3PNMT
SCHEMBL5662792 0.79 HRH3 (0.45) CYP2D6
SCHEMBL5662278 0.77 MLNR (0.46) MLNRHTR2BDRD2DRD3PNMT
SCHEMBL5662752 0.74 GPR119 (0.45) DRD2
SCHEMBL5663067 0.74 SYK (0.48) MLNRHTR2BSYKAURKBINCENP
SCHEMBL4033305 0.73 PNMT (0.79) MLNRHTR2BDRD2DRD3PNMT
Hydrochloric Acid SCHEMBL21753256 0.71 PNMT (0.76) MLNRHTR2BDRD2DRD3PNMT
SCHEMBL17663986 0.71 SMO (0.46) HTR2BHTR2C
SCHEMBL5663058 0.70 HTR2B (0.43) MLNRHTR2BPNMTHTR2CCYP2D6
SCHEMBL5181956 0.69 MLNR (0.46) MLNRHTR2BSYKAURKBINCENP

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 MLNR 590/4885HTR2B 6/4885DRD2 137/4885

“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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