SCHEMBL5664229

SCHEMBL5664229

CNC(=O)c1cncn1Cc1ccc2c(c1)CCNCC2

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CYP11B1 P15538 1/20 0.42
▸ CYP11B2 P19099 1/20 0.42
▸ MLNR O43193 8/20 0.38
▸ SYK P43405 1/20 0.36
▸ AURKB Q96GD4 1/20 0.36
▸ INCENP Q9NQS7 1/20 0.36
▸ HTR2C P28335 3/20 0.36
▸ HTR2B P41595 2/20 0.36
▸ DRD2 P14416 1/20 0.35
▸ HTR2A P28223 1/20 0.35
▸ DRD3 P35462 1/20 0.35
▸ HTR6 P50406 1/20 0.35
▸ CYP2D6 P10635 3/20 0.35
▸ MELK Q14680 2/20 0.35
▸ FNTA P49354 1/20 0.35
▸ FNTB P49356 1/20 0.35
▸ GRM2 Q14416 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
SCHEMBL5661398 0.81 HRH3 (0.52) MLNRCYP2D6
SCHEMBL5663106 0.80 ESR2 (0.43) CYP11B1CYP11B2
SCHEMBL5660505 0.76 MLNR (0.40) MLNRSYKAURKBINCENP
SCHEMBL5663067 0.70 SYK (0.48) MLNRSYKAURKBINCENPHTR2B
SCHEMBL5181956 0.70 MLNR (0.46) MLNRSYKAURKBINCENPHTR2B
SCHEMBL18584776 0.69 BRD4 (0.69) —
SCHEMBL5660251 0.68 SYK (0.48) MLNRSYKAURKBINCENPCYP2D6
SCHEMBL5168814 0.68 HRH3 (0.47) MLNRSYKAURKBINCENPCYP2D6
SCHEMBL5168854 0.68 ESR2 (0.46) CYP11B1CYP11B2
SCHEMBL9714132 0.66 GAA (0.40) CYP11B1CYP11B2

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 CYP11B1 2159/4885CYP11B2 1823/4885MLNR 590/4885

“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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