SCHEMBL6069778

SCHEMBL6069778

Nc1cccc2c1cnn2CCN1CCCC1

nearest known ligand 0.50

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 14/20 0.50
MCHR1 Q99705 1/20 0.44
BCHE P06276 2/20 0.43
CNR1 P21554 2/20 0.43
CNR2 P34972 2/20 0.43

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
SCHEMBL6069255 0.99 SIGMAR1 (0.52) SIGMAR1MCHR1BCHECNR1CNR2
SCHEMBL27227901 0.89 ADORA2A (0.44) SIGMAR1CNR1CNR2
SCHEMBL23412841 0.80 HTR2A (0.44)
SCHEMBL29780607 0.80 HTR2A (0.44)
SCHEMBL14636500 0.79 SIGMAR1 (0.53) SIGMAR1
SCHEMBL6118555 0.78 SLC9A1 (0.40) CNR1CNR2
SCHEMBL6069287 0.78 MCHR1 (0.44) SIGMAR1MCHR1BCHECNR1CNR2
SCHEMBL6069740 0.77 ALDH1A1 (0.44) SIGMAR1MCHR1BCHECNR1CNR2
SCHEMBL31429180 0.75 P2RX7 (0.56) MCHR1
SCHEMBL6069743 0.75 MCHR1 (0.66) SIGMAR1MCHR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101948433-B Method for separating and purifying substituted indazole isomer UNIV ZHENGZHOU 2012-05-09 CN claimed
CN-101948433-A Method for separating and purifying substituted indazole isomers UNIV ZHENGZHOU 2011-01-19 CN claimed
CN-101948433-B Method for separating and purifying substituted indazole isomer UNIV ZHENGZHOU 2012-05-09 CN disclosed
CN-101948433-A Method for separating and purifying substituted indazole isomers UNIV ZHENGZHOU 2011-01-19 CN disclosed
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 SIGMAR1 242/4885MCHR1 1/4885BCHE 1148/4885
US-20050277638-A1 Antagonists of melanin concentrating hormone effects on the melanin concentrating hormone receptor MCHR1, MCHR2, MC1R SIGMAR1 242/4885MCHR1 1/4885BCHE 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.