SCHEMBL5936063

SCHEMBL5936063

O=c1c2ccc(-c3ccc(F)cc3)cc2ncn1-c1ccc2nc(CN3CCCC3)ccc2c1

nearest known ligand 0.61

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ MCHR1 Q99705 20/20 0.61
▸ HTR2C P28335 1/20 0.52
▸ KCNH2 Q12809 1/20 0.51

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
SCHEMBL5936029 0.84 MCHR1 (0.85) MCHR1KCNH2
SCHEMBL5936051 0.83 MCHR1 (0.58) MCHR1KCNH2
SCHEMBL5936171 0.83 MCHR1 (0.84) MCHR1KCNH2
SCHEMBL5936028 0.75 MCHR1 (1.00) MCHR1KCNH2
SCHEMBL5253452 0.75 MCHR1 (0.71) MCHR1HTR2CKCNH2
SCHEMBL5936142 0.74 MCHR1 (0.85) MCHR1KCNH2
SCHEMBL5255597 0.74 MCHR1 (0.85) MCHR1HTR2CKCNH2
SCHEMBL6237332 0.74 MCHR1 (1.00) MCHR1KCNH2
SCHEMBL5936175 0.74 MCHR1 (0.71) MCHR1KCNH2
SCHEMBL14565950 0.73 MCHR1 (0.64) MCHR1HTR2CKCNH2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060194871-A1 Heterocyclic mchr1 antagoists SMITHKLINE BEECHAM CORPORATION 2006-08-31 — — US disclosed
WO-2004092181-A9 HETEROCYCLIC MCHR1 ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2005-01-27 — — 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-20060194871-A1 Heterocyclic mchr1 antagoists MCHR1, MCHR2, MC1R MCHR1 1/4885HTR2C 147/4885KCNH2 4037/4885

“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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