SCHEMBL6069256

SCHEMBL6069256

Nc1ccc2c(Br)nn(CCN3CCCC3)c2c1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ BCHE P06276 6/20 0.47
▸ CNR2 P34972 6/20 0.47
▸ CNR1 P21554 5/20 0.47
▸ SIGMAR1 Q99720 3/20 0.37
▸ ACHE P22303 2/20 0.37
▸ LTA4H P09960 2/20 0.35
▸ PTGS1 P23219 1/20 0.35
▸ PTGS2 P35354 1/20 0.35
▸ TERT O14746 2/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ DDB1 Q16531 1/20 0.34
▸ CRBN Q96SW2 1/20 0.34
▸ KDM4C Q9H3R0 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
SCHEMBL6069486 0.90 CNR2 (0.54) BCHECNR2CNR1SIGMAR1ACHE
SCHEMBL6069194 0.84 BCHE (0.46) BCHECNR2CNR1SIGMAR1ACHE
SCHEMBL10831687 0.79 BCHE (0.54) BCHECNR2CNR1SIGMAR1ALDH1A1
SCHEMBL6069613 0.78 CNR1 (0.51) BCHECNR2CNR1SIGMAR1LTA4H
SCHEMBL6069757 0.76 CNR2 (0.54) BCHECNR2CNR1SIGMAR1ACHE
SCHEMBL30860180 0.75 QPCT (0.47) BCHECNR2CNR1DDB1CRBN
SCHEMBL30860313 0.74 KDM4E (0.41) BCHECNR2CNR1ALDH1A1
SCHEMBL17678293 0.73 BCHE (0.45) BCHECNR2CNR1SIGMAR1ALDH1A1
SCHEMBL6069477 0.73 CNR2 (0.41) BCHECNR2CNR1SIGMAR1LTA4H
SCHEMBL6069755 0.72 MCHR1 (0.47) BCHECNR2CNR1SIGMAR1

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-7071182-B2 Antagonists of melanin concentrating hormone effects on the melanin concentrating hormone receptor ABBOTT LABORATORIES (US) 2006-07-04 — — US disclosed
US-20050277638-A1 Antagonists of melanin concentrating hormone effects on the melanin concentrating hormone receptor ABBVIE INC. 2005-12-15 — — US disclosed
US-20050137243-A1 Antagonists of melanin concentrating hormone effects on the melanin concentrating hormone receptor ABBOTT LABORATORIES 2005-06-23 — — 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 (2 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-20050137243-A1 Antagonists of melanin concentrating hormone effects on the melanin concentrating hormone receptor MCHR1, MCHR2, MC1R BCHE 1148/4885CNR2 1318/4885CNR1 763/4885
US-20050277638-A1 Antagonists of melanin concentrating hormone effects on the melanin concentrating hormone receptor MCHR1, MCHR2, MC1R BCHE 1148/4885CNR2 1318/4885CNR1 763/4885

“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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