SCHEMBL5181956

SCHEMBL5181956

CNC(=O)c1cnc(Cc2ccc3c(c2)CCNCC3)cn1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MLNR O43193 8/20 0.46
▸ HTR2B P41595 1/20 0.44
▸ SYK P43405 1/20 0.41
▸ AURKB Q96GD4 1/20 0.41
▸ INCENP Q9NQS7 1/20 0.41
▸ CYP2D6 P10635 4/20 0.41
▸ NPC1 O15118 1/20 0.40
▸ TP53 P04637 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ NFKB1 P19838 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ NFKB2 Q00653 1/20 0.40
▸ RELA Q04206 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ HRH3 Q9Y5N1 2/20 0.40
▸ HRH1 P35367 1/20 0.40
▸ PARP1 P09874 2/20 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
SCHEMBL5662183 0.90 MLNR (0.43) MLNRHTR2BSYKAURKBINCENP
SCHEMBL5663067 0.84 SYK (0.48) MLNRHTR2BSYKAURKBINCENP
SCHEMBL5168814 0.83 HRH3 (0.47) MLNRSYKAURKBINCENPCYP2D6
SCHEMBL5662176 0.80 HRH3 (0.66) MLNRCYP2D6HRH3HRH1
Hydrochloric Acid SCHEMBL5662921 0.79 HRH3 (0.65) MLNRCYP2D6HRH3HRH1
SCHEMBL5661667 0.78 ESR2 (0.44) NPC1MAPTRAB9ASMN1; SMN2HRH3
SCHEMBL3077258 0.76 HRH3 (0.67) MLNRSYKAURKBINCENPCYP2D6
SCHEMBL5660505 0.75 MLNR (0.40) MLNRSYKAURKBINCENP
SCHEMBL5663502 0.74 HRH3 (0.46) MLNRSYKAURKBINCENPCYP2D6
SCHEMBL5660251 0.72 SYK (0.48) MLNRSYKAURKBINCENPCYP2D6

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 6/4885SYK 4267/4885

“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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