SCHEMBL3054995

SCHEMBL3054995

Cc1cnccc1C(=O)N(Cc1ccccc1OCC(C)C)c1cc(Cl)cc(Cl)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 2/20 0.47
NOS1 P29475 2/20 0.47
NOS2 P35228 2/20 0.47
ATF1 P18846 1/20 0.41
NFKB1 P19838 1/20 0.41
GPBAR1 Q8TDU6 2/20 0.40
NR1H4 Q96RI1 1/20 0.40
PTGER1 P34995 7/20 0.40
TSPO P30536 3/20 0.38
ALB P02768 1/20 0.38
CCR8 P51685 1/20 0.37
KCNH2 Q12809 1/20 0.37
SGMS2 Q8NHU3 1/20 0.37
PDK1 Q15118 1/20 0.36
OPRK1 P41145 2/20 0.36
TBXA2R P21731 1/20 0.35
PPARG P37231 1/20 0.35
PTGER3 P43115 1/20 0.35
CACNA1G O43497 1/20 0.35
CACNA1H O95180 1/20 0.35

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
SCHEMBL3053755 0.88 BCL2A1 (0.48) NOS3NOS1NOS2ATF1NFKB1
SCHEMBL3055219 0.88 NOS3 (0.50) NOS3NOS1NOS2ATF1NFKB1
SCHEMBL3061405 0.86 NOS3 (0.49) NOS3NOS1NOS2ATF1NFKB1
SCHEMBL3057986 0.85 NOS3 (0.45) NOS3NOS1NOS2ATF1NFKB1
SCHEMBL3043589 0.84 NOS3 (0.49) NOS3NOS1NOS2ATF1NFKB1
SCHEMBL3064365 0.84 NOS3 (0.54) NOS3NOS1NOS2ATF1NFKB1
SCHEMBL3056338 0.83 NOS3 (0.53) NOS3NOS1NOS2ATF1NFKB1
SCHEMBL3050573 0.82 NOS3 (0.52) NOS3NOS1NOS2ATF1NFKB1
SCHEMBL3044228 0.81 NOS3 (0.51) NOS3NOS1NOS2ATF1NFKB1
SCHEMBL3061893 0.81 GPBAR1 (0.49) NOS3NOS1NOS2ATF1NFKB1

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-20100261758-A1 HETEROCYCLIC AMIDES FOR USE AS PHARMACEUTICALS NOVARTIS AG (CH) 2010-10-14 US disclosed
EP-2001851-A2 AMIDE DERIVATIVES AND THEIR APPLICATION FOR THE TREAMENT OF G PROTEIN RELATED DISEASES Novartis AG (CH) 2008-12-17 EP disclosed
WO-2007110237-A2 AMIDE DERIVATIVES AND THEIR APPLICATION FOR THE TREATMENT OF G PROTEIN RELATED DISEASES NOVARTIS AG (CH) 2007-10-04 WO 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 (1 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-20100261758-A1 HETEROCYCLIC AMIDES FOR USE AS PHARMACEUTICALS HRH4, CNR1, CNR2 NOS3 3019/4885NOS1 3682/4885NOS2 3548/4885

“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.