SCHEMBL6069858

SCHEMBL6069858

O=[N+]([O-])c1ccc2c(c1)c(Br)nn2CCN1CCCC1

nearest known ligand 0.57

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 7/20 0.57
▸ CNR1 P21554 6/20 0.57
▸ BCHE P06276 3/20 0.57
▸ ALDH1A1 P00352 2/20 0.48
▸ MEN1 O00255 1/20 0.48
▸ LMNA P02545 1/20 0.48
▸ CYP2D6 P10635 1/20 0.48
▸ KMT2A Q03164 1/20 0.48
▸ PKM P14618 1/20 0.46
▸ HRH3 Q9Y5N1 2/20 0.46
▸ ACHE P22303 2/20 0.45
▸ HTR7 P34969 1/20 0.42
▸ LTA4H P09960 1/20 0.41
▸ PTGS1 P23219 1/20 0.41
▸ PTGS2 P35354 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ HTR6 P50406 1/20 0.40

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
SCHEMBL6069613 0.91 CNR1 (0.51) CNR2CNR1BCHEALDH1A1MEN1
SCHEMBL6069615 0.86 CNR2 (0.58) CNR2CNR1BCHEALDH1A1MEN1
SCHEMBL6069457 0.81 CNR1 (0.50) CNR2CNR1BCHEALDH1A1MEN1
SCHEMBL26630273 0.79 MAPT (0.51) CNR2CNR1MEN1LMNAKMT2A
SCHEMBL6069486 0.78 CNR2 (0.54) CNR2CNR1BCHEALDH1A1ACHE
SCHEMBL30695536 0.76 CNR2 (0.42) CNR2CNR1MEN1LMNAKMT2A
SCHEMBL28483269 0.76 CNR2 (0.42) CNR2CNR1MEN1LMNAKMT2A
SCHEMBL2075325 0.75 GLS (0.68) CNR2CNR1BCHEALDH1A1MEN1
SCHEMBL30628634 0.74 L3MBTL1 (0.62) CNR2CNR1ALDH1A1MEN1LMNA
SCHEMBL7115402 0.74 L3MBTL1 (0.62) CNR2CNR1ALDH1A1MEN1LMNA

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 CNR2 1318/4885CNR1 763/4885BCHE 1148/4885
US-20050277638-A1 Antagonists of melanin concentrating hormone effects on the melanin concentrating hormone receptor MCHR1, MCHR2, MC1R CNR2 1318/4885CNR1 763/4885BCHE 1148/4885

“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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