SCHEMBL6069613

SCHEMBL6069613

O=[N+]([O-])c1ccc2c(Br)nn(CCN3CCCC3)c2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CNR1 P21554 3/20 0.51
▸ CNR2 P34972 3/20 0.51
▸ BCHE P06276 2/20 0.51
▸ HRH3 Q9Y5N1 2/20 0.47
▸ ALDH1A1 P00352 4/20 0.46
▸ LMNA P02545 2/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ CYP2D6 P10635 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ HTR7 P34969 1/20 0.46
▸ PKM P14618 1/20 0.45
▸ LTA4H P09960 2/20 0.41
▸ PTGS2 P35354 2/20 0.41
▸ PTGS1 P23219 1/20 0.41
▸ SIGMAR1 Q99720 2/20 0.40
▸ GAA P10253 2/20 0.40
▸ KCNJ1 P48048 1/20 0.40
▸ KCNH2 Q12809 1/20 0.40
▸ KDM4E B2RXH2 2/20 0.39
▸ TDP1 Q9NUW8 1/20 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
SCHEMBL6069858 0.91 CNR2 (0.57) CNR1CNR2BCHEHRH3ALDH1A1
SCHEMBL6069457 0.86 CNR1 (0.50) CNR1CNR2BCHEHRH3ALDH1A1
SCHEMBL6069615 0.80 CNR2 (0.58) CNR1CNR2BCHEHRH3ALDH1A1
SCHEMBL31591508 0.78 HTR7 (0.52) CNR1CNR2BCHEHRH3ALDH1A1
SCHEMBL6069256 0.78 BCHE (0.47) CNR1CNR2BCHEALDH1A1LTA4H
SCHEMBL31591501 0.77 CNR1 (0.52) CNR1CNR2BCHEALDH1A1LMNA
SCHEMBL5860883 0.76 GLS (0.54) CNR1CNR2BCHEHRH3ALDH1A1
SCHEMBL26621652 0.76 L3MBTL1 (0.51) CNR1CNR2ALDH1A1LMNAMEN1
SCHEMBL10831687 0.74 BCHE (0.54) CNR1CNR2BCHEHRH3ALDH1A1
SCHEMBL2075325 0.73 GLS (0.68) CNR1CNR2BCHEHRH3ALDH1A1

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