SCHEMBL6069740

SCHEMBL6069740

O=[N+]([O-])c1cccc2c1cnn2CCN1CCCCC1

nearest known ligand 0.61

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.44
SIGMAR1 Q99720 8/20 0.44
MCHR1 Q99705 1/20 0.43
BCHE P06276 2/20 0.42
CNR1 P21554 2/20 0.42
CNR2 P34972 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
LTA4H P09960 1/20 0.41

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
SCHEMBL6069287 0.99 MCHR1 (0.44) ALDH1A1SIGMAR1MCHR1BCHECNR1
SCHEMBL6069320 0.89 CYP1A2 (0.50) CNR1CNR2MEN1KMT2A
SCHEMBL27228011 0.81 TDP1 (0.46) ALDH1A1MEN1KMT2A
SCHEMBL30861009 0.81 TDP1 (0.46) ALDH1A1MEN1KMT2A
SCHEMBL27227989 0.80 TDP1 (0.44) ALDH1A1MEN1KMT2A
SCHEMBL6118688 0.80 TDP1 (0.44) ALDH1A1
SCHEMBL6069658 0.79 HRH3 (0.47) ALDH1A1
SCHEMBL6069255 0.79 SIGMAR1 (0.52) SIGMAR1MCHR1BCHECNR1CNR2
SCHEMBL6069778 0.77 SIGMAR1 (0.50) SIGMAR1MCHR1BCHECNR1CNR2
SCHEMBL3686407 0.76 TDP1 (0.47) ALDH1A1MEN1KMT2A

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 ALDH1A1 2303/4885SIGMAR1 242/4885MCHR1 1/4885
US-20050277638-A1 Antagonists of melanin concentrating hormone effects on the melanin concentrating hormone receptor MCHR1, MCHR2, MC1R ALDH1A1 2303/4885SIGMAR1 242/4885MCHR1 1/4885

“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.