SCHEMBL6069607

SCHEMBL6069607

COC(Cn1ncc2cc([N+](=O)[O-])ccc21)OC

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLS O94925 1/20 0.61
HTR2A P28223 2/20 0.41
HTR2C P28335 2/20 0.41
KDR P35968 1/20 0.41
NPC1 O15118 1/20 0.39
CYP1A2 P05177 1/20 0.38
CYP19A1 P11511 1/20 0.38
HTR2B P41595 1/20 0.37
LMNA P02545 3/20 0.37
MAPT P10636 2/20 0.37
POLB P06746 1/20 0.37
MAOB P27338 1/20 0.37
NOS1 P29475 1/20 0.37
CNR1 P21554 1/20 0.37
ACHE P22303 1/20 0.37
CNR2 P34972 1/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
ALDH1A1 P00352 2/20 0.36
PDGFRB P09619 1/20 0.36

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
SCHEMBL6069440 0.90 NPC1 (0.48) GLSHTR2AHTR2CNPC1CYP1A2
SCHEMBL31304655 0.85 GLS (0.65) GLSHTR2AHTR2CKDRNPC1
SCHEMBL17060346 0.85 GLS (0.65) GLSHTR2AHTR2CKDRNPC1
SCHEMBL16931094 0.83 GLS (0.62) GLSHTR2AHTR2CKDRNPC1
SCHEMBL14910007 0.83 GLS (0.65) GLSHTR2AHTR2CKDRNPC1
SCHEMBL5347812 0.81 GLS (0.70) GLSKDRNPC1CYP1A2CYP19A1
SCHEMBL3808355 0.81 GLS (0.70) GLSKDRNPC1CYP1A2CYP19A1
SCHEMBL655729 0.79 GLS (0.60) GLSKDRNPC1CYP1A2LMNA
SCHEMBL10982770 0.78 GLS (0.70) GLSNPC1CYP1A2CYP19A1LMNA
SCHEMBL6069518 0.78 GLS (0.52) GLSHTR2AHTR2CNPC1CYP1A2

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 GLS 1607/4885HTR2A 71/4885HTR2C 92/4885
US-20050277638-A1 Antagonists of melanin concentrating hormone effects on the melanin concentrating hormone receptor MCHR1, MCHR2, MC1R GLS 1607/4885HTR2A 71/4885HTR2C 92/4885

“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.