SCHEMBL6069618

SCHEMBL6069618

Nc1ccc2cnn(CCN3CCOC3=O)c2c1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.39
HTR2C P28335 2/20 0.39
HTR2B P41595 1/20 0.39
NQO2 P16083 1/20 0.37
KMO O15229 5/20 0.36
CNR2 P34972 2/20 0.36
HDAC3 O15379 1/20 0.35
HDAC2 Q92769 1/20 0.35
IRAK1 P51617 2/20 0.35
IRAK4 Q9NWZ3 2/20 0.35
DAO P14920 1/20 0.34
CCNC P24863 1/20 0.34
CDK8 P49336 1/20 0.34
THRB P10828 1/20 0.33
CNR1 P21554 1/20 0.33
SCN9A Q15858 1/20 0.33
GRIN1 Q05586 1/20 0.33
GRIN2B Q13224 1/20 0.33
BRD4 O60885 1/20 0.33

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
SCHEMBL6069531 0.81 GLS (0.48) HTR2AHTR2CHTR2BNQO2KMO
SCHEMBL521061 0.78 HDAC3 (0.47) HTR2AHTR2CHTR2BCNR2HDAC3
SCHEMBL6069755 0.75 MCHR1 (0.47) HTR2AHTR2CHTR2BCNR2CNR1
SCHEMBL30833639 0.71 HTR2A (0.54) HTR2AHTR2CHTR2BKMO
SCHEMBL20769975 0.71 HTR2A (0.50) HTR2AHTR2CHTR2BKMOCNR2
SCHEMBL14910829 0.71 HTR2A (0.54) HTR2AHTR2CHTR2BKMO
SCHEMBL14320854 0.71 HTR2A (0.54) HTR2AHTR2CHTR2BKMO
SCHEMBL7571403 0.71 CYP1A2 (0.63) HTR2AHTR2CHTR2BKMOIRAK4
SCHEMBL22502397 0.69 HTR2A (0.48) HTR2AHTR2CHTR2BKMO
SCHEMBL5308721 0.69 HTR2A (0.51) HTR2AHTR2CHTR2BKMO

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 HTR2A 71/4885HTR2C 92/4885HTR2B 104/4885
US-20050277638-A1 Antagonists of melanin concentrating hormone effects on the melanin concentrating hormone receptor MCHR1, MCHR2, MC1R HTR2A 71/4885HTR2C 92/4885HTR2B 104/4885

“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.